data_2db2_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 2db2 _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 ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.6 mt -42.9 -41.51 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -41.13 -44.08 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -36.48 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -115.01 87.55 15.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -46.43 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.648 2.232 . . . . 0.0 112.413 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -114.14 74.64 2.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.451 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.7 -27.72 26.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -68.1 -35.09 77.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -93.74 -41.0 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.94 -58.55 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.58 -58.1 8.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -50.24 -45.91 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 m -52.85 -38.38 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 HG13 ' CD2' ' A' ' 137' ' ' PHE . 87.6 t -57.62 -73.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.9 mt -53.97 -32.29 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.51 70.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -90.31 -42.09 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -66.22 -54.35 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 109' ' ' TRP . 11.4 mt -102.61 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.08 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.523 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.1 mt -42.26 -42.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.3 p -59.76 -44.58 93.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.6 m-70 -71.42 -49.65 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' HA ' ' CG ' ' A' ' 89' ' ' LYS . . . -37.44 -37.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.5 mttp -38.16 -53.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -38.71 42.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 40.4 mmtt -46.32 -44.81 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.6 mt -104.44 107.16 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 t -107.42 140.15 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.63 123.86 48.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -114.82 120.91 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.437 ' CE1' ' CG2' ' A' ' 103' ' ' VAL . 30.1 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -125.45 148.43 48.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 14.0 t -130.49 121.97 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.1 m -96.54 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -80.98 106.4 12.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 108' ' ' LYS . 20.2 m-70 -89.79 103.02 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.1 mt -95.11 148.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 31.8 mmtm -115.46 -41.84 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.541 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 50.0 t90 -100.42 138.51 20.2 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.74 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.338 -0.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.2 ptmt -113.13 169.85 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -77.6 106.25 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.02 168.1 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 4.0 mp0 -147.4 153.34 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 33.3 m -145.03 159.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -106.43 146.01 31.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.04 118.63 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -99.16 158.71 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.05 161.61 20.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.4 m -70.2 -55.95 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -101.36 173.28 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -51.09 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 124' ' ' ASP . 6.1 tp -60.61 -43.88 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.461 ' N ' HG23 ' A' ' 123' ' ' ILE . 0.8 OUTLIER -53.87 -49.59 68.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.93 -54.37 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -49.26 -44.56 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -52.48 -57.81 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' ALA . 39.7 mm-40 -47.91 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.35 -63.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 69' ' ' PRO . . . -51.08 -50.62 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.2 -35.65 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.4 -22.33 66.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.59 -35.11 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 88.0 m -46.38 -40.38 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.52 -38.24 83.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.96 -42.48 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 142' ' ' LEU . 34.2 m-85 -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -67.0 -52.66 39.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.94 -37.5 94.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -61.26 -41.69 97.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.85 27.09 2.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 137' ' ' PHE . 30.6 mt -99.63 -24.54 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 67.9 mt -104.95 -63.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.25 -173.48 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.6 6.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.242 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.477 ' CB ' ' OE2' ' A' ' 148' ' ' GLU . 21.5 mmm180 -111.69 31.39 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.4 44.67 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.477 ' OE2' ' CB ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 67.4 mt -48.64 175.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.436 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 25.5 m-85 -125.99 -176.26 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.19 145.64 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -42.91 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -39.29 -54.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.436 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 31.8 tttm -53.83 -48.41 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.462 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 13.7 m-85 -53.82 -41.84 67.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -54.66 -43.32 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.27 -40.57 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 66.7 mt -56.54 -33.37 66.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 109' ' ' TRP . . . -83.33 -27.58 29.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.57 -51.47 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -55.97 -23.74 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 mt -45.95 -39.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -41.4 -42.65 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.81 -35.27 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 17.7 m-85 -112.57 94.11 26.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.75 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -43.3 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.33 78.76 44.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.73 -32.99 17.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -63.61 -33.23 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.54 -44.83 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 72' ' ' LEU . 6.0 tt -55.92 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 tp -48.3 -57.47 5.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.87 -44.76 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.3 m -55.17 -42.05 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.8 t -53.14 -71.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -55.34 -35.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.98 -26.52 67.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.428 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -91.56 -32.19 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -77.06 -57.32 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 109' ' ' TRP . 11.9 mt -99.09 -68.35 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.2 124.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mm -39.05 -32.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -70.12 -54.61 12.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -62.5 -40.52 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -45.21 -39.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 82.2 mttt -36.71 -57.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -44.46 63.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -46.39 -35.73 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.4 mt -109.15 110.15 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.43 141.05 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -117.99 115.59 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 108.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -132.53 132.05 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -128.62 119.47 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.8 m -92.34 109.03 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.5 tp -81.66 108.81 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.448 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 21.6 m-70 -90.57 104.62 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 108' ' ' LYS . 23.1 mt -98.9 151.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.466 ' N ' HG23 ' A' ' 107' ' ' ILE . 45.5 mmtt -118.15 -42.96 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.541 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 35.7 t90 -100.37 138.85 20.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.527 0.679 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.77 -40.73 1.04 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.317 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ptmt -113.7 169.05 9.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -78.41 108.75 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.11 165.9 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 3.4 mp0 -146.4 147.23 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.7 m -139.11 156.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.01 145.3 27.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.66 115.99 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.66 158.95 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.399 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.55 170.4 33.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -76.95 -52.68 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -103.53 170.14 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 123' ' ' ILE . 15.3 ptpt -53.16 -45.02 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 122' ' ' LYS . 6.1 tp -64.51 -37.05 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.96 -44.38 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.66 93.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -63.56 -54.13 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -39.28 -49.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -57.02 -53.54 56.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.34 -54.94 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 69' ' ' PRO . . . -59.11 -47.3 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.53 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.24 33.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 107' ' ' ILE . . . -93.22 -35.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 98.7 m -46.62 -37.77 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 5.8 pt20 -69.96 -33.21 71.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.3 mt -70.29 -42.37 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -65.27 -48.42 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 139' ' ' GLY . 3.2 ptmm? -65.77 -43.61 88.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.1 -34.8 85.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -73.81 -17.66 61.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.51 28.31 8.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.0 mt -91.13 -30.99 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.2 mt -114.97 -66.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.13 -156.09 22.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 10.9 ptt180 -117.06 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 146' ' ' ARG . 4.7 p30 45.59 52.12 9.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.401 ' HG3' ' CG ' ' A' ' 146' ' ' ARG . 8.1 mt-10 -88.94 84.58 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 51.0 mt -44.75 168.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.412 ' CB ' ' HD3' ' A' ' 154' ' ' LYS . 26.2 m-85 -128.23 175.96 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.29 140.05 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.26 10.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.62 -57.91 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.412 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 12.9 tttp -52.84 -43.58 66.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.447 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 6.6 m-85 -55.81 -43.55 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.49 -42.07 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.87 -42.28 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.13 -53.71 49.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.468 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.37 -43.6 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 162' ' ' PHE . 7.1 t70 -49.51 -57.87 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -38.63 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 160' ' ' ASP . 64.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -42.75 -35.47 1.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -43.91 -46.93 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.98 -36.93 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -105.9 94.73 9.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -43.56 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -125.68 78.52 68.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -39.7 6.11 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 39.5 tttt -54.88 -32.65 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -96.56 -43.78 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 tt -54.3 -58.96 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 tp -53.47 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 70' ' ' LYS . 13.5 m-20 -41.54 -55.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -45.17 -53.33 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.6 t -38.97 -72.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.73 -35.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.401 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.04 -21.7 56.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -97.16 -43.1 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.46 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -97.75 -67.17 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.53 124.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 62.8 mt -37.07 -47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.19 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -53.62 -55.04 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.6 m-70 -62.71 -49.44 75.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.61 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' HIS . 17.4 ttpp -36.35 -61.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.51 -44.53 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -39.12 -34.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.88 101.63 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.96 138.33 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.11 117.22 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.9 t -108.23 110.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.502 ' CE1' HG23 ' A' ' 103' ' ' VAL . 36.6 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.433 ' CE ' ' OE1' ' A' ' 116' ' ' GLU . 29.3 tttt -125.62 132.31 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG23 ' CE1' ' A' ' 94' ' ' HIS . 13.0 t -123.53 113.93 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 47.2 m -92.51 105.52 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 30.0 tp -81.05 104.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -87.13 104.58 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.3 mt -99.9 148.51 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 36.0 mmtt -115.72 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 55.2 t90 -100.51 138.44 20.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.77 -41.21 0.94 Allowed 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 -0.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.85 170.5 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 m -79.23 107.88 12.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.44 166.32 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -145.83 144.37 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 18.7 m -134.88 152.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' OE1' ' CE ' ' A' ' 102' ' ' LYS . 5.8 mm-40 -99.98 143.51 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -130.94 109.74 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -94.63 160.03 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.69 144.99 4.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 m -54.03 -50.57 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -175.18 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -79.34 -19.87 49.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -82.24 -30.52 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -31.89 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.28 -45.6 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -63.32 -46.0 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -54.49 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -42.13 -54.35 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.18 -54.18 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -57.3 -46.12 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.29 -46.84 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.8 -23.56 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.52 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.05 -43.2 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -61.48 -31.07 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.37 -37.01 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.56 -27.71 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.12 -51.04 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.96 -41.69 95.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -56.81 -22.5 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.34 36.5 6.22 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 44.6 mt -100.04 -25.64 14.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.96 -63.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.56 -168.74 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -35.74 12.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -102.74 28.16 6.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 42.06 49.77 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.21 126.12 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.92 176.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.414 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -130.53 178.19 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.3 OUTLIER -71.49 128.93 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.94 -42.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.12 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 13.5 tttp -46.21 -43.74 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.8 -51.2 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -47.34 -36.56 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.88 -42.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 38.0 mt -54.0 -32.24 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.456 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.04 -29.53 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -61.82 -48.31 81.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -52.09 -28.5 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.8 mt -47.48 -39.03 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -41.43 -44.86 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.16 -36.14 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -107.74 92.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.82 6.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -125.28 74.91 68.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -33.51 16.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.98 -39.94 91.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -90.29 -45.33 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.98 -50.89 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.16 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -49.12 -51.76 30.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -47.1 -37.92 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.55 -74.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.1 mt -55.24 -32.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.13 -22.5 70.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -96.31 -36.77 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.57 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD11 ' CG ' ' A' ' 109' ' ' TRP . 10.0 mt -95.75 -66.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.18 124.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mm -38.59 -37.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -63.06 -49.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -66.49 -47.61 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.29 -39.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.7 tttp -37.31 -60.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -42.77 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -44.0 -40.63 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.11 111.65 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.92 142.22 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -118.39 121.34 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.41 109.95 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -122.39 135.21 54.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.84 117.82 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.3 m -95.37 108.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 23.6 tp -82.95 107.49 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -90.1 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.1 mt -99.79 149.43 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 20.2 mmtp -116.86 -41.95 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.541 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 45.4 t90 -100.39 138.62 20.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -40.63 1.06 Allowed 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.359 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.9 169.62 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.4 p -77.53 107.6 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.18 167.21 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -147.86 150.84 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 16.9 m -140.91 152.64 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -103.53 140.99 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.98 129.68 6.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.35 157.22 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.92 178.12 40.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 t -91.4 -47.43 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 165.77 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.22 -27.94 62.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.3 tp -83.01 -31.04 8.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.07 -50.9 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.26 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.34 -50.51 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -53.17 -49.56 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -51.73 -61.2 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.64 -61.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.47 -54.3 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.21 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.03 -24.19 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.49 -40.08 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 91.4 m -42.68 -41.1 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.85 -38.57 79.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.19 -45.92 82.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.477 ' CD2' HD12 ' A' ' 142' ' ' LEU . 21.5 m-85 -63.05 -29.65 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -72.69 -47.37 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.32 -45.55 93.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -56.3 -37.28 69.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.97 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 137' ' ' PHE . 37.1 mt -95.97 -29.42 14.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.91 -61.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.74 -164.37 14.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -101.7 33.26 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m120 43.73 51.68 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.64 166.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.442 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 47.8 m-85 -115.83 178.66 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -70.96 132.58 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -36.22 -45.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -51.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 16.1 tttp -46.16 -44.5 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -53.05 -51.16 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.12 -42.7 29.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 76.3 t -74.48 -45.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 41.6 mt -48.94 -50.16 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.511 ' HB1' ' CE2' ' A' ' 109' ' ' TRP . . . -61.11 -58.98 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -43.37 -48.14 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -45.69 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -45.39 -38.78 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -42.69 -41.43 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.12 -39.34 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 17.1 m-85 -105.24 95.81 10.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.47 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.7 Cg_endo -69.78 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.47 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.5 pm0 -122.9 79.92 50.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -38.35 7.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -59.36 -36.89 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -88.73 -42.07 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.99 -69.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -41.86 -56.97 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -51.38 -53.91 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.26 -43.13 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' A' ' 143' ' ' LEU . 58.7 t -51.93 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.1 mt -54.15 -34.87 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.24 -26.85 64.39 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -92.68 -42.98 9.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.27 -59.79 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -96.93 -65.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.35 122.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.417 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 6.9 mm -37.13 -38.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -60.63 -50.62 72.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.93 -35.97 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -29.57 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -38.47 -61.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.32 -45.97 52.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -37.04 -40.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.09 108.33 16.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.0 t -110.84 144.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.401 ' CE1' HD11 ' A' ' 105' ' ' LEU . 2.7 m-85 -119.19 119.71 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.4 t -110.85 111.77 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -136.66 146.86 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.2 t -133.09 120.61 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.2 m -94.93 108.62 20.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 24.0 tp -83.1 105.1 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -89.29 103.58 16.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.7 mt -97.64 149.21 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 35.8 mmtt -116.59 -42.13 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 159' ' ' ALA . 51.5 t90 -100.46 138.54 20.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.9 Cg_endo -69.73 -40.97 0.98 Allowed 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.37 -0.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.3 ptmt -113.31 169.83 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 m -78.89 105.93 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.56 164.31 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -143.77 151.88 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 132' ' ' ALA . 28.4 m -141.86 153.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 134.91 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.59 115.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.78 161.14 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.9 162.07 20.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 m -72.1 -54.39 9.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -101.02 163.43 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -43.94 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.9 tp -63.71 -35.55 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.11 -49.02 48.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.42 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.36 -58.04 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 68' ' ' GLN . 26.9 mtp85 -39.27 -55.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -39.06 -59.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.444 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -50.95 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.15 -46.26 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 115' ' ' VAL . . . -51.28 -26.42 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.84 -32.12 15.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 86.2 m -50.0 -33.42 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -68.49 -38.03 80.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.18 -46.18 74.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.567 ' CD2' HD13 ' A' ' 142' ' ' LEU . 9.5 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.71 82.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -62.58 -31.23 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.98 33.16 3.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 137' ' ' PHE . 35.3 mt -98.29 -13.15 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.441 ' CD2' HG23 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -126.9 -69.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 126.7 -161.73 20.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -99.66 31.36 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 40.92 54.78 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.42 123.69 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.39 148.54 45.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.493 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 30.2 m-85 -100.81 -179.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.7 159.42 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.97 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.94 -56.59 9.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.493 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -51.62 -47.72 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -50.76 -47.75 59.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -50.78 -44.22 58.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.26 -38.75 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.444 ' CD1' HD23 ' A' ' 142' ' ' LEU . 43.1 mt -59.42 -33.64 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . . . -82.55 -28.83 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.09 -56.33 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -43.98 -27.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.852 0.358 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.72 -39.57 3.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -39.82 -42.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.7 -41.92 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 15.8 m-85 -103.1 95.86 7.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.4 Cg_endo -69.77 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -127.82 80.45 72.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.463 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 54.1 Cg_endo -69.66 -35.81 12.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.23 . . . . 0.0 112.401 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.61 -43.43 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -84.48 -45.81 12.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.42 -65.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -44.12 -58.2 2.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -51.9 -50.26 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -48.57 -38.08 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -56.65 -72.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.404 ' CG2' HD11 ' A' ' 81' ' ' LEU . 48.4 mt -56.2 -35.2 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.452 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -59.64 -26.96 63.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -89.46 -37.89 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.56 -59.89 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 109' ' ' TRP . 11.2 mt -95.52 -61.6 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.68 131.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.452 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 21.6 mt -43.63 -37.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.5 m -61.74 -54.11 46.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -63.43 -46.47 86.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -40.42 -41.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.8 ttmm -36.22 -58.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -72.52 -51.17 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ASP . 47.4 mmtt -34.99 -40.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.6 mt -105.83 114.3 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 t -115.46 140.39 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -115.08 121.77 44.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.13 108.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 6.7 ttpm? -120.98 155.26 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.7 t -139.81 119.86 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.3 m -93.14 106.16 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 23.7 tp -80.99 104.48 11.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -84.92 103.26 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.448 HD11 ' CB ' ' A' ' 133' ' ' ALA . 11.2 mt -97.66 145.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.1 mmtp -112.97 -42.32 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.9 t90 -100.37 138.41 20.19 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.2 Cg_endo -69.73 -40.91 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.366 -0.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.93 170.5 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.406 ' C ' HG21 ' A' ' 113' ' ' VAL . 88.2 p -77.99 104.15 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.406 HG21 ' C ' ' A' ' 112' ' ' SER . 2.6 t -135.11 169.06 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -148.11 145.65 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.7 154.5 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -100.88 145.87 28.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.409 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -133.94 116.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.495 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 2.9 m-85 -95.8 163.66 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.11 140.51 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 t -53.68 -39.95 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -115.24 -179.19 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -66.22 -57.67 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 tp -53.66 -25.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -41.3 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.05 92.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.11 -49.65 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -46.99 -51.07 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.4 -51.42 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.409 ' N ' ' HA3' ' A' ' 117' ' ' GLY . . . -44.84 -54.91 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 69' ' ' PRO . . . -56.42 -50.41 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -45.86 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.88 -26.2 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.448 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -89.71 -36.1 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 93.2 m -47.73 -35.5 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -31.88 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 71.3 mt -71.48 -40.38 70.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' A' ' 142' ' ' LEU . 15.0 m-85 -65.72 -49.97 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -62.37 -42.29 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.26 -35.96 92.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.03 29.19 4.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 150' ' ' PHE . 34.3 mt -94.67 -37.5 11.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.5 mt -108.05 -65.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.4 -162.45 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -43.08 2.89 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -97.66 29.65 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.5 p30 41.18 47.48 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -94.15 133.99 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.64 169.14 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.4 m-85 -122.65 -176.04 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.82 130.97 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.07 -48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.12 -54.58 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.428 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 20.9 tttt -54.7 -40.4 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -58.95 -48.96 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -50.17 -41.18 48.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.12 -43.38 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 53.8 mt -54.38 -47.24 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.469 ' HB3' ' CE2' ' A' ' 109' ' ' TRP . . . -59.56 -41.48 90.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -48.5 -53.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.7 mtp85 -42.16 -30.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.422 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 64.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 132' ' ' ALA . 36.5 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.85 -41.89 62.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.84 -43.42 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -85.98 -37.93 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -109.97 99.25 38.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' O ' ' NH2' ' A' ' 127' ' ' ARG . 54.3 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -123.14 74.46 49.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -33.7 16.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -38.72 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -91.32 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.8 tt -43.52 -52.78 5.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 tp -51.39 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.601 ' ND2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -43.94 -52.17 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.601 ' N ' ' ND2' ' A' ' 74' ' ' ASN . 8.3 m -46.58 -34.97 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.12 -72.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.5 mt -55.06 -34.26 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.06 -37.45 91.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -77.66 -41.7 37.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.95 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.601 ' CD1' ' CE ' ' A' ' 89' ' ' LYS . 11.0 mt -104.35 -69.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.39 126.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mp -41.2 -32.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 m -66.22 -52.89 43.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.9 m-70 -65.79 -58.16 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -34.81 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 38.2 mtpt -36.16 -48.43 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -48.32 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.601 ' CE ' ' CD1' ' A' ' 81' ' ' LEU . 14.9 mttm -42.63 -48.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.2 mt -90.03 108.05 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.9 t -113.21 142.72 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.455 ' CE1' HD12 ' A' ' 105' ' ' LEU . 5.9 m-85 -118.76 112.64 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.54 113.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.405 ' CE1' HG22 ' A' ' 103' ' ' VAL . 12.5 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.6 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.8 ttpm? -128.82 150.74 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.405 HG22 ' CE1' ' A' ' 94' ' ' HIS . 16.8 t -134.55 115.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.7 m -92.72 106.57 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.455 HD12 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.46 107.53 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -88.99 106.58 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 133' ' ' ALA . 15.6 mt -101.14 146.07 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.0 mmtp -113.09 -43.28 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 61.3 t90 -100.57 138.5 20.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.9 Cg_endo -69.77 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.347 -0.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -112.86 169.29 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.1 p -80.04 103.49 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.75 170.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.413 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 3.5 mp0 -148.1 150.72 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 26.8 m -140.15 151.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -100.05 144.6 28.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -131.7 119.83 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.435 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 6.5 m-85 -98.03 153.11 18.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.85 158.8 14.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 t -69.52 -46.94 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.994 0.426 . . . . 0.0 110.855 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.53 169.65 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -56.33 -41.93 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.65 -30.19 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.24 -47.42 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.44 -40.8 61.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.01 -45.52 82.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 67' ' ' PRO . 44.3 mtp180 -57.7 -52.13 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -51.96 -54.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -44.33 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.95 -54.12 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.45 -43.91 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' A' ' 62' ' ' LEU . . . -55.87 -23.08 28.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 107' ' ' ILE . . . -92.28 -38.62 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.0 m -45.35 -41.96 9.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 8.8 pt20 -60.24 -36.81 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 79.9 mt -66.18 -43.25 87.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.72 -34.7 78.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -69.01 -48.02 64.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.0 97.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -59.48 -24.6 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.0 33.03 5.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -96.51 -17.18 20.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.6 mt -118.71 -67.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.28 -162.87 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.28 34.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 39.96 53.77 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.25 121.03 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 40.0 mt -57.98 151.45 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.529 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 17.0 m-85 -103.4 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.63 159.34 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.74 80.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.32 -53.75 40.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.529 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -54.69 -44.85 73.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -56.24 -47.63 78.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -51.1 -33.08 24.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.49 -38.66 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.422 HD13 ' CG ' ' A' ' 154' ' ' LYS . 65.6 mt -58.24 -28.67 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.497 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . . . -86.02 -32.11 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.97 -53.01 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -41.31 -32.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.39 -41.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -86.96 -37.66 17.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -105.3 94.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -43.82 2.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.375 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -123.3 76.69 52.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.533 0.682 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.27 29.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -65.33 -43.93 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 m120 -87.09 -33.24 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.29 -68.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 137' ' ' PHE . 10.4 tp -46.29 -58.2 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -55.06 -42.4 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.5 m -57.68 -45.57 85.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.2 t -50.22 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.472 HG23 ' CB ' ' A' ' 86' ' ' ALA . 63.4 mt -53.81 -36.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -27.41 59.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.71 -44.21 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.77 64.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.597 ' CD1' ' CD ' ' A' ' 89' ' ' LYS . 8.0 mt -105.58 -66.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 84' ' ' SER . . . 158.06 124.62 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 15.6 mm -33.83 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' GLY . 3.8 m -62.39 -54.33 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' LYS . 94.7 m-70 -62.51 -58.96 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 77' ' ' ILE . . . -36.3 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' HIS . 28.4 ttmt -46.03 -51.04 14.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' LEU . 21.0 t0 -83.95 -51.29 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 6.2 mtpp -39.59 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' ASP . 88.6 mt -119.71 99.7 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.92 146.56 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 4.0 m-85 -118.51 119.12 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -103.16 111.03 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HB2' ' NZ ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 116' ' ' GLU . 22.0 tttm -131.16 128.75 40.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.0 t -125.64 121.38 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -96.69 105.29 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.3 tp -80.98 102.61 10.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -83.2 103.01 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.408 HG12 ' CD2' ' A' ' 90' ' ' LEU . 13.0 mt -96.44 148.26 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.0 mmtp -116.39 -41.07 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.538 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.6 t90 -100.39 138.08 20.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.533 0.683 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -41.19 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.346 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.8 ptmt -113.11 171.39 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.402 ' C ' HG21 ' A' ' 113' ' ' VAL . 8.0 m -77.2 101.35 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.402 HG21 ' C ' ' A' ' 112' ' ' SER . 2.6 t -132.17 165.7 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 2.7 mp0 -147.2 142.8 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.9 m -134.68 161.95 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.42 ' CD ' ' HE2' ' A' ' 102' ' ' LYS . 60.3 mm-40 -107.02 151.26 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.92 118.7 1.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.407 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 11.9 m-85 -105.21 162.01 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.98 170.96 34.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 m -67.84 -55.11 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -104.94 -178.04 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -63.38 -45.74 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 124' ' ' ASP . 4.1 tp -61.48 -39.38 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 123' ' ' ILE . 7.0 m-20 -62.83 -47.71 82.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.407 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 127' ' ' ARG . 24.1 mt-10 -60.56 -61.99 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' GLU . 23.5 mtp85 -35.64 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.72 -47.93 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.72 -50.87 54.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.64 97.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.71 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.27 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.26 -37.11 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.6 m -45.21 -38.85 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -35.67 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.47 -37.42 82.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.531 ' CE1' HD12 ' A' ' 73' ' ' LEU . 11.7 m-85 -66.33 -53.18 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -61.14 -37.49 83.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.84 -43.77 90.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -62.62 -26.96 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.41 33.68 2.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.438 HD11 ' CD2' ' A' ' 137' ' ' PHE . 38.6 mt -96.2 -33.96 11.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.27 -63.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.13 -160.88 18.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -95.52 29.55 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 40.61 45.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.32 124.69 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.54 173.54 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.436 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 25.3 m-85 -124.74 177.6 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -71.5 138.48 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -39.05 -50.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.404 ' HA ' ' NH2' ' A' ' 156' ' ' ARG . . . -49.32 -60.79 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.436 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 24.7 tttm -49.2 -42.03 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.57 -46.8 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.404 ' NH2' ' HA ' ' A' ' 153' ' ' ALA . 29.3 mtm105 -53.23 -39.55 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.59 -36.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.31 -50.56 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -57.03 -34.25 68.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.98 -46.56 71.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -28.51 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 mt -43.5 -40.68 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -40.75 -40.46 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -86.26 -39.18 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -105.56 106.21 55.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.437 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.9 Cg_endo -69.81 -47.83 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.437 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.8 pm0 -125.7 83.07 62.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -51.12 -30.51 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.2 -49.24 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.64 -54.61 39.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 tp -53.83 -57.16 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.88 -49.66 62.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.5 m -49.65 -40.87 41.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -53.78 -69.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.86 -33.01 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.6 -21.76 60.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -94.6 -44.29 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -65.77 -58.93 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' A' ' 109' ' ' TRP . 12.1 mt -95.41 -65.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.94 129.16 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.6 mm -39.84 -38.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.0 m -60.81 -56.65 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -61.53 -44.67 96.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.63 -42.47 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -38.63 -53.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -45.6 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -43.83 -47.73 8.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.0 mt -98.92 111.35 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -113.21 141.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.494 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -114.74 115.85 27.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.7 t -100.64 107.85 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.4 mttp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -133.76 131.1 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.74 118.57 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.0 m -94.78 108.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.494 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.16 106.81 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.0 m-70 -88.7 104.49 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.425 ' CD1' ' CB ' ' A' ' 133' ' ' ALA . 15.6 mt -98.45 148.57 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.6 mmtp -115.74 -41.77 3.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.3 t90 -100.3 138.23 20.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.1 Cg_endo -69.78 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.333 -0.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.7 169.63 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.4 p -78.03 108.81 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.56 167.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.524 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.2 mp0 -147.93 149.84 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.2 m -138.07 157.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.64 141.43 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -128.4 108.87 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.34 158.07 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.993 0.425 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.79 154.19 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 t -67.97 -44.43 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -103.66 159.84 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -57.71 -28.62 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.6 tp -78.27 -28.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.55 -39.98 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.66 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.04 -50.86 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -49.65 -51.4 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -53.31 -58.12 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.49 -58.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -54.76 -55.55 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.57 -41.95 43.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.13 -30.41 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.425 ' CB ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.43 -29.31 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.4 m -51.61 -45.03 63.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -58.03 -30.94 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.14 -42.35 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.551 ' CD2' HD12 ' A' ' 142' ' ' LEU . 11.0 m-85 -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.34 -53.51 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.11 -37.18 94.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -60.73 -30.8 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.91 4.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 137' ' ' PHE . 41.1 mt -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.9 mt -104.01 -63.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.55 -166.57 12.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.15 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -102.89 33.38 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.6 m120 40.51 52.22 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -99.96 98.02 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 81.2 mt -44.02 159.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.09 -175.47 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.63 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.42 ' HB1' ' NH1' ' A' ' 156' ' ' ARG . . . -61.92 -30.32 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -70.48 -55.75 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -53.25 -33.35 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.446 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 4.1 m-85 -62.42 -53.81 49.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.42 ' NH1' ' HB1' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -50.71 -41.11 55.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.94 -39.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 33.9 mt -56.99 -53.08 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -51.17 -42.27 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -48.46 -48.04 37.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -49.81 -27.99 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.7 -35.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -43.9 -44.81 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -84.17 -38.15 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -106.28 99.62 24.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -44.4 2.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.301 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -123.81 78.96 56.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.91 30.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -69.53 -39.98 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -89.23 -40.13 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' CD1' ' OD1' ' A' ' 147' ' ' ASN . 5.5 tt -58.29 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 137' ' ' PHE . 13.2 tp -56.74 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -50.49 -41.36 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -28.73 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.523 HG12 ' CD2' ' A' ' 137' ' ' PHE . 92.6 t -66.06 -75.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.7 mt -51.96 -35.85 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.455 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -30.59 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -86.96 -41.42 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.05 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -97.33 -69.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 165.39 121.7 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.455 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.5 mm -35.59 -36.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -64.71 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' GLY . 94.8 m-70 -68.81 -41.74 78.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -43.17 -36.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 34.6 tptt -37.66 -53.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -42.6 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -43.6 -43.77 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.4 mt -106.67 108.87 20.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.76 138.52 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -116.19 121.01 40.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.1 t -112.17 116.89 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' N ' ' HE3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -119.57 130.55 55.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.17 123.52 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.2 m -97.94 106.6 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.0 tp -81.44 102.77 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.15 100.94 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 9.6 mt -95.51 148.84 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 37.9 mmtt -117.52 -43.07 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 37.6 t90 -100.67 138.65 20.15 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.527 0.68 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.8 -41.8 0.85 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -111.35 169.53 8.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.4 m -80.0 107.15 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.8 t -140.69 164.58 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -145.42 146.18 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 m -137.45 157.54 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.71 144.48 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.16 112.47 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -97.42 167.71 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.91 164.67 24.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.5 m -61.04 -57.66 11.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -106.63 178.68 4.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.03 -27.86 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 tp -75.66 -31.26 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.41 -38.98 48.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.96 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.37 -57.07 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -41.88 -56.29 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -49.97 -56.36 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.51 -56.7 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.53 -54.98 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.38 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.93 -22.69 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.71 -33.52 14.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.9 m -49.39 -33.05 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -71.51 -31.79 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.69 -44.79 63.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.523 ' CD2' HG12 ' A' ' 76' ' ' VAL . 27.1 m-85 -59.74 -51.68 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -34.89 78.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.18 72.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -80.75 -23.08 39.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.48 26.53 5.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 137' ' ' PHE . 27.0 mt -100.03 -28.36 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.442 ' CD2' HG23 ' A' ' 76' ' ' VAL . 88.5 mt -111.24 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 117.83 -170.21 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.52 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.7 7.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -107.88 35.36 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . 0.49 ' OD1' ' CD1' ' A' ' 72' ' ' LEU . 3.7 t-20 40.26 54.49 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -99.04 109.33 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 43.5 mt -57.57 179.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 149' ' ' LEU . 22.4 m-85 -138.93 165.76 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.21 156.27 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.07 -29.58 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.71 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -53.62 -35.33 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -64.91 -47.99 75.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -50.67 -36.06 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.37 -38.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.3 -51.86 66.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.491 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.63 -49.12 75.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 161' ' ' ARG . 10.7 t70 -41.23 -60.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 160' ' ' ASP . 56.6 mtp180 -35.22 -36.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 160' ' ' ASP . 42.1 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.68 -42.03 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -41.8 -43.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.81 -47.4 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -102.71 96.66 7.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.92 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -119.68 75.32 18.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -23.8 30.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.304 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -67.62 -33.98 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -95.66 -40.18 9.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.98 -67.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 137' ' ' PHE . 11.2 tp -42.38 -58.12 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -50.99 -53.26 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -48.21 -47.15 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.6 t -46.39 -72.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.6 mt -56.87 -34.48 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.76 -29.6 72.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -87.68 -35.61 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.13 -55.03 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 109' ' ' TRP . 12.4 mt -100.74 -61.45 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.41 128.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mp -39.95 -36.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -60.88 -54.33 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.0 m-70 -64.68 -47.96 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -35.56 -33.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' HIS . 67.3 mttt -39.91 -64.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 25.8 t70 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . 22.0 mmtm -36.39 -38.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -114.74 106.82 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.92 139.24 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -114.56 121.87 44.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -107.77 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -126.92 136.78 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -131.7 118.79 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.6 m -96.54 106.31 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.4 tp -80.97 104.62 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.436 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 7.2 m-70 -86.41 105.28 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 14.5 mt -99.05 149.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 34.5 mmtt -117.74 -42.76 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.543 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 40.0 t90 -100.5 138.39 20.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.72 -41.15 0.95 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.309 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 6.2 ptmt -113.15 169.9 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.416 ' C ' HG22 ' A' ' 113' ' ' VAL . 11.7 m -79.19 107.74 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.416 HG22 ' C ' ' A' ' 112' ' ' SER . 2.6 t -139.94 167.86 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.436 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.4 mp0 -147.48 147.48 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.39 150.93 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.96 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -136.0 117.66 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 2.2 m-85 -107.4 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.469 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 165.53 144.25 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.75 -49.25 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.415 ' HD3' ' CG ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -99.84 -176.44 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -70.01 -43.99 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 127' ' ' ARG . 1.4 tp -62.66 -43.95 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.469 ' CB ' ' HA3' ' A' ' 119' ' ' GLY . 19.2 m-20 -55.88 -37.11 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.42 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -66.51 -72.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -54.05 -37.81 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 123' ' ' ILE . 40.0 ttp180 -58.51 -40.79 83.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.5 -48.03 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.1 -50.68 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.07 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.01 -36.86 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.39 -22.06 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.23 -38.2 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.2 m -45.13 -36.75 3.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 13.7 pt20 -68.06 -32.88 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 92.7 mt -70.67 -36.68 73.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 73' ' ' LEU . 16.1 m-85 -67.89 -49.66 60.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 139' ' ' GLY . 2.9 ptmm? -63.09 -46.8 85.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.17 -38.85 95.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -66.45 -24.41 66.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.4 27.89 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.487 ' O ' ' CE2' ' A' ' 150' ' ' PHE . 35.5 mt -93.3 -30.47 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 -58.85 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.12 -163.89 14.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -36.34 10.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -103.7 29.3 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.02 46.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.04 125.72 37.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.91 174.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.487 ' CE2' ' O ' ' A' ' 142' ' ' LEU . 24.8 m-85 -133.88 179.17 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.76 131.86 44.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -40.06 -40.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.24 -59.19 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -53.16 -48.83 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -51.13 -42.77 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 66.0 t -74.89 -38.72 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 59.7 mt -56.27 -54.55 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.505 ' HB1' ' CE2' ' A' ' 109' ' ' TRP . . . -53.62 -36.07 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.32 -41.54 84.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -56.07 -13.88 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -46.95 -35.72 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.54 -40.0 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.44 -35.36 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 6.8 m-85 -108.43 94.11 12.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.9 Cg_endo -69.73 -40.4 5.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -126.18 79.4 69.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.545 0.688 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -23.8 30.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -80.65 -33.42 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.95 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.1 tp -48.41 -58.17 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -52.65 -46.43 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -52.97 -43.04 66.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 137' ' ' PHE . 96.4 t -51.37 -74.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 81' ' ' LEU . 67.2 mt -51.65 -31.51 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.48 -33.54 71.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -85.65 -45.84 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 HD11 ' CG2' ' A' ' 77' ' ' ILE . 12.5 mt -107.55 -69.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.03 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.5 mp -39.84 -38.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.1 p -61.7 -52.44 64.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -66.37 -44.37 83.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.3 -33.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -41.66 -58.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -43.96 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -41.64 -41.37 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 39.2 mt -107.94 112.93 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.6 t -114.91 143.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.51 119.12 32.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.79 120.22 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.469 ' CE1' HG23 ' A' ' 103' ' ' VAL . 85.2 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -128.77 129.7 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.469 HG23 ' CE1' ' A' ' 94' ' ' HIS . 11.2 t -121.78 128.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.5 m -103.2 109.34 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 tp -81.08 111.2 17.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -92.95 104.69 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 108' ' ' LYS . 17.1 mt -99.29 145.75 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 43.6 mmtt -114.33 -42.41 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.547 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 51.4 t90 -100.82 138.88 20.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.513 0.673 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.78 -41.32 0.93 Allowed 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.284 -0.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.8 ptmt -112.02 169.77 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -80.46 109.39 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.6 t -144.03 166.57 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -144.34 153.4 41.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 m -144.34 158.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -102.88 150.28 23.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -141.41 108.01 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -96.31 167.11 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.66 160.53 18.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.6 m -64.05 -44.1 93.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.945 0.403 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -114.3 -179.56 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.5 -44.78 93.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.9 tp -63.37 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.38 -43.54 97.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.98 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.67 -48.89 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -51.1 -44.03 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.98 -56.08 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.35 -51.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.52 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.76 -42.97 37.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.08 -27.53 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.79 -34.36 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 80.5 m -46.48 -38.0 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -34.32 75.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -39.01 81.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 142' ' ' LEU . 14.8 m-85 -66.6 -51.79 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.427 ' N ' HD11 ' A' ' 143' ' ' LEU . 3.8 ptmm? -60.1 -39.6 86.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.41 97.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 26.0 m0 -69.05 -25.45 64.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.76 30.73 4.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 137' ' ' PHE . 30.8 mt -95.61 -24.98 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -119.33 -68.87 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 130.19 -163.21 23.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.11 5.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -99.3 28.59 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 15.2 p30 41.37 48.91 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -98.8 133.73 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.81 179.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 19.3 m-85 -130.97 -174.25 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.8 OUTLIER -81.12 130.54 35.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.03 -46.44 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.59 -60.17 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -49.84 -42.68 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -57.3 -45.0 84.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -54.07 -39.77 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.3 t -78.4 -43.59 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 50.3 mt -51.87 -33.85 38.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.466 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.11 -31.88 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.21 -58.09 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -41.39 -31.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.441 ' CD2' ' HB2' ' A' ' 110' ' ' PRO . 66.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 HD11 ' NE2' ' A' ' 128' ' ' GLN . 43.7 mt -42.97 -36.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -43.88 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.72 -35.58 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -110.33 98.13 34.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.22 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.378 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -124.1 79.02 59.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -37.3 9.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -60.16 -34.53 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -92.43 -41.14 10.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.6 -56.36 22.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.64 -56.51 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -50.74 -56.87 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.46 -49.21 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 143' ' ' LEU . 62.2 t -48.38 -73.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.67 -35.26 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.34 99.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.25 -36.7 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -66.82 -59.78 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 109' ' ' TRP . 7.5 mt -101.98 -69.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 169.54 126.78 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.0 mp -38.7 -37.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' GLY . 93.2 m-70 -75.35 -53.57 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.76 -28.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' HIS . 9.2 mtpm? -53.3 -50.53 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -54.06 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.568 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.54 -29.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.2 mt -107.27 102.76 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.45 141.29 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.457 ' CE1' HD13 ' A' ' 105' ' ' LEU . 13.3 m-85 -119.52 110.12 16.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.1 t -95.67 110.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 tttt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -128.78 138.12 51.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.53 124.17 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -98.53 106.87 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.457 HD13 ' CE1' ' A' ' 92' ' ' TYR . 26.0 tp -82.19 112.07 18.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.2 m-70 -96.13 103.55 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 108' ' ' LYS . 23.6 mt -94.83 151.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 107' ' ' ILE . 44.3 mmtt -117.88 -42.43 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.579 ' CD1' HD12 ' A' ' 81' ' ' LEU . 56.4 t90 -100.56 138.68 20.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.545 0.688 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.86 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.312 0.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ptmt -112.74 169.96 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.2 p -78.97 107.67 11.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.09 165.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.7 mp0 -145.96 150.97 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.6 m -141.57 175.95 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 28.9 mp0 -119.32 145.81 45.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.463 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -137.25 109.17 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -94.95 169.44 10.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.95 160.71 17.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.5 m -67.02 -50.57 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -102.98 173.17 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -63.97 -39.07 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.72 -30.39 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -45.76 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.82 -47.17 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -59.63 -55.51 33.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -42.6 -57.51 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.453 ' NE2' HD11 ' A' ' 63' ' ' LEU . 22.0 mm-40 -49.67 -49.88 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.463 ' N ' ' HA3' ' A' ' 117' ' ' GLY . . . -47.17 -54.21 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.45 -53.28 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.08 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -54.49 -26.39 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 107' ' ' ILE . . . -88.79 -31.67 18.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.9 m -51.66 -35.85 43.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -62.89 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.52 -44.35 62.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.55 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -67.07 -51.47 54.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.55 98.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -59.0 -33.59 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.24 3.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.4 mt -99.72 -27.51 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 76' ' ' VAL . 2.1 mt -111.02 -61.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.47 -163.83 14.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.12 4.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -104.1 32.43 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 p30 39.93 50.98 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.89 111.15 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 74.7 mt -44.6 165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.492 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 16.5 m-85 -117.53 -178.38 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.95 134.41 37.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.59 -51.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.65 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.492 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 23.7 tttt -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.91 -47.18 74.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -50.23 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.1 t -79.96 -39.15 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 50.8 mt -58.68 -32.14 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 109' ' ' TRP . . . -83.97 -27.65 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -64.77 -52.41 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -49.62 -27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -43.48 -41.46 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -40.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -86.15 -35.73 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 8.6 m-85 -107.68 106.59 58.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.12 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -129.21 84.1 63.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.85 27.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -65.59 -41.64 92.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -89.87 -41.85 11.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.9 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.407 HD13 ' CE1' ' A' ' 137' ' ' PHE . 12.8 tp -48.48 -57.2 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -50.26 -52.12 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -50.17 -44.73 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 137' ' ' PHE . 20.2 t -48.25 -71.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.81 -34.58 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -29.73 62.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -86.72 -42.07 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -58.34 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.69 -65.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . 159.9 126.33 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' GLY . 20.9 mt -36.5 -46.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -52.32 -50.72 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' ALA . 97.5 m-70 -69.04 -49.84 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.44 -41.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -35.57 -64.91 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -39.66 -46.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.7 mt -99.18 111.03 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.15 140.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -118.09 122.6 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -108.92 106.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.488 ' CE1' HG23 ' A' ' 103' ' ' VAL . 29.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -126.42 137.29 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' CE1' ' A' ' 94' ' ' HIS . 17.8 t -130.64 119.59 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.8 m -94.59 106.71 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.0 tp -81.2 104.68 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 22.3 m-70 -86.89 100.99 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 10.8 mt -94.49 149.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 111' ' ' LYS . 42.1 mmtt -116.12 -41.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.539 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 59.2 t90 -100.54 138.13 20.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.0 Cg_endo -69.76 -41.37 0.92 Allowed 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.37 -0.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 108' ' ' LYS . 5.4 ptmt -112.62 170.28 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -78.45 100.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.1 t -131.83 167.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.507 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 2.8 mp0 -148.14 143.31 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 23.7 m -135.78 154.6 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -98.68 150.55 21.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.73 124.89 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.89 164.35 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.59 164.05 22.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 m -59.95 -60.9 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -100.31 174.71 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -59.16 -41.01 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -61.92 -32.12 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.64 -48.46 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.51 -32.95 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.61 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -39.14 -43.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -63.37 -53.53 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.29 -48.95 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.11 -47.39 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.29 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.01 -28.6 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -85.1 -39.64 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m -43.22 -46.1 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -53.97 -39.73 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.76 -46.4 88.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.522 ' CD2' ' CD1' ' A' ' 142' ' ' LEU . 43.5 m-85 -61.54 -43.44 98.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -59.84 -57.42 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.73 -46.0 90.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -55.33 -38.66 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.85 29.08 3.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 137' ' ' PHE . 54.4 mt -90.47 -32.99 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.3 mt -106.2 -64.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 128.29 -163.43 21.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -46.48 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -105.76 41.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 147' ' ' ASN . 5.3 p-10 40.02 52.26 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -102.53 101.34 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 88.5 mt -43.67 164.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.468 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 20.1 m-85 -116.22 177.37 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 134.55 47.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -38.82 -43.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.24 -60.17 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.468 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.4 tttm -48.51 -43.43 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.67 -50.67 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -47.3 -36.08 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.59 -44.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 38.3 mt -51.08 -36.48 40.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB1' ' NE1' ' A' ' 109' ' ' TRP . . . -78.62 -31.48 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -58.42 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -47.92 -28.65 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 132' ' ' ALA . 19.7 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.832 0.348 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -47.36 -44.62 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -40.84 -45.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -76.74 -43.28 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -111.5 105.13 56.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.681 0.753 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -46.3 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -120.53 79.62 29.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.6 29.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -70.28 -39.68 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -88.28 -39.01 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.6 tt -58.49 -65.46 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.24 -57.53 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.58 -45.44 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -55.01 -44.81 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.421 ' CG2' ' CD2' ' A' ' 143' ' ' LEU . 60.5 t -50.61 -67.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.3 -31.7 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.52 -22.98 66.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -95.45 -40.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.24 -59.43 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.481 HD23 ' CD1' ' A' ' 109' ' ' TRP . 10.8 mt -98.8 -62.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.16 127.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.1 mt -39.49 -37.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -61.11 -54.66 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -66.44 -43.61 85.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -38.85 -32.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.4 mmtm -35.86 -64.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' LYS . 17.4 t0 -71.72 -48.12 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' ASP . 48.2 mmtt -34.16 -37.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' ASP . 55.1 mt -116.38 105.35 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.19 141.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.96 122.73 44.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -107.15 107.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.482 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 19.7 tttp -129.7 142.72 50.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.3 120.19 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.474 HG21 ' CD2' ' A' ' 106' ' ' HIS . 24.5 m -96.02 108.62 21.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 21.6 tp -81.25 105.46 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 18.1 m-70 -88.63 102.88 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.6 mt -95.99 149.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 12.5 mmtp -116.05 -40.43 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.537 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.3 t90 -100.52 138.2 20.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.54 0.686 . . . . 0.0 110.951 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.8 -41.12 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.8 OUTLIER -113.07 170.37 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 p -77.28 106.68 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.92 168.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.559 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 4.0 mp0 -147.82 150.47 34.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 30.6 m -140.95 153.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -100.83 137.69 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.38 127.8 5.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.482 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 m-85 -111.81 162.46 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.4 178.03 40.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -100.23 169.1 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -46.5 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.5 tp -63.19 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -47.55 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.43 75.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.37 -46.56 82.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -46.29 -55.47 7.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ALA . 13.1 mm-40 -51.26 -60.23 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.27 -60.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.08 -56.24 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.77 -41.53 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' ' 62' ' ' LEU . . . -56.63 -24.92 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.89 -31.02 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.8 m -48.56 -39.81 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 3.3 pt20 -63.74 -31.51 72.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 81.5 mt -72.25 -40.72 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.5 ' CD2' HD13 ' A' ' 142' ' ' LEU . 10.3 m-85 -70.81 -27.16 63.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -72.11 -50.1 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -43.01 93.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -56.18 -32.1 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.27 33.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.5 HD13 ' CD2' ' A' ' 137' ' ' PHE . 51.6 mt -96.92 -30.78 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.421 ' CD2' ' CG2' ' A' ' 76' ' ' VAL . 2.6 mt -111.89 -65.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 119.82 -166.17 13.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.0 3.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -101.24 32.25 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 41.02 34.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -85.63 109.67 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 70.0 mt -57.44 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.543 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 15.9 m-85 -138.17 177.21 8.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -76.01 143.4 41.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 153' ' ' ALA . . . -37.49 -57.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 152' ' ' ALA . . . -36.1 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.543 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 14.6 tttm -57.45 -51.3 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -57.92 -39.78 78.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.1 ttm105 -56.95 -42.51 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.69 -36.67 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.03 -49.21 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.76 75.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.92 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -48.1 -22.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -43.87 -36.38 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -46.72 -42.58 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -82.01 -43.99 17.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.04 103.0 26.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -41.36 4.46 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -130.32 80.43 70.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -36.15 11.37 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -62.61 -31.82 72.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.96 -35.98 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.33 -61.11 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 tp -50.41 -58.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -49.78 -48.46 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -50.82 -45.72 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.456 ' CG2' HD23 ' A' ' 143' ' ' LEU . 97.9 t -48.7 -71.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.06 -34.59 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.428 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.14 -22.34 62.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -93.59 -38.22 11.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.3 -60.12 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -93.61 -67.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 163.84 122.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.428 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.6 mm -36.49 -37.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 p -66.35 -49.41 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 82' ' ' GLY . 96.3 m-70 -64.41 -42.92 95.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -42.58 -40.82 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.5 ttpt -36.11 -58.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.46 -45.55 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -45.92 -42.08 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.0 mt -103.04 108.57 19.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 t -111.66 140.67 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -119.58 123.96 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.73 108.24 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -138.43 127.58 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 t -113.33 134.58 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.534 HG23 ' CD2' ' A' ' 106' ' ' HIS . 33.0 m -105.51 105.48 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.03 105.79 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.534 ' CD2' HG23 ' A' ' 104' ' ' THR . 9.9 m-70 -90.55 103.44 16.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.405 ' CD1' ' HB1' ' A' ' 133' ' ' ALA . 13.4 mt -96.21 148.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 24.2 mmtp -115.71 -42.79 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.541 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.0 t90 -100.13 138.58 20.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.1 Cg_endo -69.75 -40.73 1.04 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.388 -0.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.7 ptmt -114.25 168.27 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 110.24 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.3 t -144.59 167.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.52 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 5.0 mp0 -146.43 152.74 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 m -140.52 163.08 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 143.67 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.28 115.2 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -100.7 162.54 12.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.958 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.79 5.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 m -55.25 -51.52 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -106.92 172.56 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -53.36 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 tp -51.77 -55.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.12 -40.2 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.37 -27.95 68.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -64.89 -53.19 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.34 -49.22 74.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -44.42 -53.57 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -61.55 -53.16 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.42 50.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.04 -23.52 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.405 ' HB1' ' CD1' ' A' ' 107' ' ' ILE . . . -93.51 -29.77 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.81 -33.67 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 2.4 pt20 -67.53 -32.95 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 86.9 mt -71.53 -42.88 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.533 ' CD2' HD13 ' A' ' 142' ' ' LEU . 11.3 m-85 -63.19 -40.71 98.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.46 -58.71 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.62 -39.73 86.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -59.38 -35.85 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.86 29.29 4.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.533 HD13 ' CD2' ' A' ' 137' ' ' PHE . 33.3 mt -90.24 -37.2 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.456 HD23 ' CG2' ' A' ' 76' ' ' VAL . 3.6 mt -103.41 -55.59 2.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.89 -169.61 15.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -32.6 18.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -110.89 28.5 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 44.25 49.75 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -100.22 108.29 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.3 mt -48.19 159.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.449 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -113.59 -179.29 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 152' ' ' ALA . 1.2 m-20 -75.92 131.61 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.13 -45.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.37 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.449 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 22.7 tttm -54.38 -40.51 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.52 -49.9 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -48.84 -39.44 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.79 -41.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 42.5 mt -55.05 -51.62 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.492 ' HB3' ' CE2' ' A' ' 109' ' ' TRP . . . -55.69 -35.89 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.67 -54.76 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -41.39 -33.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.852 0.358 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.2 mt -44.07 -44.2 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -42.94 -43.09 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.37 -43.76 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -106.94 104.22 50.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -49.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.57 77.53 8.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.415 ' HB2' ' N ' ' A' ' 131' ' ' ALA . 53.7 Cg_endo -69.77 -25.77 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -75.11 -33.37 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.68 -43.11 10.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.0 -63.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -45.89 -58.79 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.42 -54.56 20.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -44.99 -45.25 10.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 65.8 t -50.99 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -55.43 -27.52 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.24 80.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -85.82 -48.89 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.69 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -98.63 -68.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 129.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.2 mp -40.88 -36.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p -63.43 -53.15 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -64.99 -50.42 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.37 -35.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.1 tptm -36.63 -62.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' LYS . 2.1 m-20 -70.86 -44.55 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' ASP . 54.3 mmtt -36.99 -43.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -103.36 111.49 23.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.12 136.92 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.78 121.47 45.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -112.43 110.28 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.539 ' CE1' ' HG3' ' A' ' 122' ' ' LYS . 22.8 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -125.52 152.01 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 94' ' ' HIS . 14.6 t -136.02 120.32 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.4 m -92.68 104.44 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 18.5 tp -81.48 104.88 12.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -86.32 104.63 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.3 mt -98.07 146.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.2 mmtp -112.98 -42.65 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' CD1' HD21 ' A' ' 81' ' ' LEU . 33.1 t90 -100.08 138.14 20.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.7 Cg_endo -69.76 -41.24 0.94 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -113.89 168.81 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.411 ' C ' HG23 ' A' ' 113' ' ' VAL . 85.6 p -76.79 102.98 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 112' ' ' SER . 2.7 t -133.98 168.69 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -148.22 145.62 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 132' ' ' ALA . 23.8 m -138.06 157.83 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -101.02 150.42 22.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.57 118.6 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -101.45 161.69 13.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.17 171.27 34.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 t -77.8 -52.71 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.32 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.539 ' HG3' ' CE1' ' A' ' 94' ' ' HIS . 12.0 ttpp -62.61 -59.35 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 124' ' ' ASP . 4.3 tp -54.15 -38.0 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.417 ' N ' HG21 ' A' ' 123' ' ' ILE . 5.2 m-20 -62.14 -50.77 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.98 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.5 -53.81 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -41.02 -52.25 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.01 -51.2 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 115' ' ' VAL . . . -45.22 -54.3 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -59.49 -51.06 71.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.415 ' N ' ' HB2' ' A' ' 69' ' ' PRO . . . -52.66 -40.76 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.415 ' CB ' ' HB ' ' A' ' 115' ' ' VAL . . . -56.25 -22.65 31.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.6 -33.08 14.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.5 m -48.4 -39.36 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 10.3 pt20 -66.13 -35.51 80.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.9 mt -67.68 -40.71 84.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.518 ' CD2' HD11 ' A' ' 142' ' ' LEU . 11.4 m-85 -69.6 -28.32 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -74.78 -45.64 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.95 -44.39 88.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -57.44 -33.14 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.49 36.8 2.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 137' ' ' PHE . 44.3 mt -100.19 -25.72 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.8 mt -110.7 -66.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.32 -166.19 20.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -92.1 30.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.0 52.38 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -110.26 114.07 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.4 mt -44.81 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.407 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 15.8 m-85 -115.94 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -79.92 134.48 36.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -38.8 -48.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.55 -56.94 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.407 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 25.5 tttp -54.32 -41.28 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -48.98 79.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -50.98 -38.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.81 -42.14 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.3 mt -52.52 -37.49 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 109' ' ' TRP . . . -78.59 -27.05 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.04 -59.72 4.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -51.47 -27.36 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.5 mt -43.52 -38.73 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -41.57 -43.78 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.94 -45.1 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -104.33 93.73 6.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -117.36 77.16 9.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.439 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.74 -32.4 18.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -64.21 -42.11 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -86.79 -42.01 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' C ' ' CD2' ' A' ' 72' ' ' LEU . 5.8 tt -60.14 -57.39 13.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 137' ' ' PHE . 11.8 tp -54.1 -58.12 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -51.34 -50.17 59.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.7 m -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.03 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.5 -35.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -26.48 58.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -89.94 -42.81 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.63 -59.23 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.79 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.57 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.447 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mm -37.81 -36.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -62.53 -51.25 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -68.9 -44.57 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.4 -35.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -44.25 -55.57 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -36.82 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -50.63 -45.32 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -103.88 110.67 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.32 143.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -119.72 118.71 31.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.9 115.13 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mttm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -128.79 131.34 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 t -118.82 125.81 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m -97.81 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.92 106.58 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 13.8 m-70 -91.77 101.84 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 14.9 mt -93.54 149.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 23.2 mmtp -116.42 -43.29 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 159' ' ' ALA . 46.1 t90 -100.57 138.46 20.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.69 -41.27 0.93 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.4 ptmt -112.62 169.78 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 113' ' ' VAL . 97.7 p -80.07 103.54 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 112' ' ' SER . 2.6 t -135.3 168.5 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.446 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 5.0 mp0 -147.71 153.03 38.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.9 m -141.6 166.2 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 145.0 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.43 107.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.403 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 m-85 -96.45 162.45 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.45 134.64 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 t -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -104.05 170.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -57.36 -56.41 22.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -42.01 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.2 -45.97 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.403 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -57.87 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.35 -51.31 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -43.5 -48.62 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -61.41 -51.4 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.16 -52.08 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -58.44 -52.13 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.82 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.56 -21.58 53.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -94.29 -31.64 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 94.5 m -49.29 -38.58 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.72 -36.65 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.81 -50.62 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' A' ' 143' ' ' LEU . 17.9 m-85 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -48.79 -58.39 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.37 97.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -59.76 -15.1 17.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.88 35.88 30.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 36.3 mt -96.76 -33.67 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 144' ' ' GLY . 2.6 pp -112.64 -37.75 4.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 143' ' ' LEU . . . 111.59 -171.74 14.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -44.05 2.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.755 2.303 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 15.5 mmp_? -111.66 42.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 146' ' ' ARG . 0.6 OUTLIER 48.04 44.59 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -92.05 84.94 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 mt -38.72 158.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -116.36 -178.7 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.24 145.69 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.58 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -48.27 -56.21 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -52.73 -46.88 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -53.45 -47.61 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -50.86 -35.55 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.48 -43.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 61.9 mt -50.15 -33.74 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.44 -42.51 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -47.69 -49.11 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -35.16 37.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.59 -34.66 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -44.71 -42.45 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.71 -39.64 13.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.87 87.75 3.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.37 3.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.381 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -116.47 74.7 6.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -23.4 31.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -37.74 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -93.23 -36.87 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.3 -65.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.56 -57.44 8.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -52.07 -48.64 64.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -50.13 -42.3 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.6 t -54.3 -74.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.178 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.24 -24.34 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.91 71.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -93.81 -34.52 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.325 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -57.52 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 109' ' ' TRP . 11.4 mt -100.09 -62.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.01 125.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mt -38.68 -40.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -60.13 -51.76 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.33 -45.13 81.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.26 -39.48 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -38.44 -60.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -45.59 73.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -44.95 -44.86 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.63 106.21 18.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.3 t -108.07 140.0 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.426 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.9 m-85 -118.99 112.84 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.82 108.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 27.2 tttm -130.44 158.37 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.1 t -147.16 119.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.5 m -94.74 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 92' ' ' TYR . 26.5 tp -81.4 104.99 12.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.59 103.12 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.5 mt -97.04 148.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.8 mmtp -116.27 -42.63 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.543 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.6 t90 -100.45 138.68 20.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.554 0.692 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.4 Cg_endo -69.76 -40.9 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.343 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.7 ptmt -113.36 169.15 9.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.4 p -77.89 107.92 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.35 167.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -147.84 149.94 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.7 m -142.3 152.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.96 150.01 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -143.64 110.96 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 2.0 m-85 -97.06 161.88 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.979 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.43 161.72 20.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -66.86 -53.35 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -105.37 169.79 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -53.87 -51.42 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.25 -30.15 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -68.45 -50.62 51.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.77 -53.1 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -49.47 -40.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -60.82 -52.37 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -52.14 -54.59 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -44.88 -53.43 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -59.14 -50.9 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.08 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.43 -21.42 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.34 -37.56 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 69.9 m -45.7 -36.54 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 18.8 pt20 -67.81 -35.83 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 80.4 mt -67.14 -37.81 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 142' ' ' LEU . 16.0 m-85 -70.3 -33.97 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -67.17 -51.79 49.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.07 96.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.3 m0 -56.92 -32.9 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.18 34.24 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 137' ' ' PHE . 36.1 mt -96.78 -20.95 17.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.84 -63.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.05 -163.04 15.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -44.03 2.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 146' ' ' ARG . 13.4 mtp-105 -107.0 38.58 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.4 m120 41.12 50.55 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.15 98.56 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.68 173.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.456 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.0 m-85 -124.44 171.15 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 152' ' ' ALA . 5.1 m-20 -67.64 134.59 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.09 -53.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -45.98 -64.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.456 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.6 tttm -44.71 -49.36 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -52.24 -45.86 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 156' ' ' ARG . 0.7 OUTLIER -50.24 -41.47 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.64 -37.36 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 44.7 mt -57.78 -52.04 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.5 -45.62 80.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ARG . 11.7 t0 -45.47 -57.45 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' ASP . 7.5 mtp-105 -37.59 -37.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.1 mt -47.97 -30.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -47.0 -46.77 21.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.42 -37.6 25.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -103.64 94.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -45.36 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -125.06 79.09 65.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -40.72 5.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -51.84 -35.76 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.62 -35.41 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 72' ' ' LEU . 5.7 tt -63.92 -59.5 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -52.84 -57.6 9.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -54.56 -46.65 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -52.22 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' A' ' 143' ' ' LEU . 80.8 t -54.1 -74.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -51.69 -32.79 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.25 -31.07 77.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ttm-85 -86.23 -37.19 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.28 -58.48 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.06 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 161.03 125.86 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 14.5 mm -37.25 -41.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.5 m -60.31 -44.24 95.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLY . 52.1 m-70 -71.61 -45.11 63.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.29 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -41.29 -52.52 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -41.88 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -48.57 -45.68 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.2 mt -100.01 111.92 24.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.4 t -113.95 139.74 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 126' ' ' GLU . 7.4 m-85 -115.83 117.82 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.0 t -111.13 103.38 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -120.32 140.53 51.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -125.76 124.47 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.7 m -92.08 102.02 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.421 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 32.1 tp -80.95 101.19 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -82.89 102.5 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 108' ' ' LYS . 13.3 mt -97.44 145.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 21.0 mmtp -113.6 -42.2 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 50.5 t90 -100.39 138.26 20.15 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.3 Cg_endo -69.69 -41.13 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.329 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.51 170.53 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -78.01 103.37 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.17 166.67 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -147.18 141.61 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.85 164.15 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -108.76 151.18 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -139.17 127.14 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.419 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 8.5 m-85 -99.64 156.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.35 131.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.1 m -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' CE ' ' OD2' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -100.74 165.33 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -49.96 -62.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 124' ' ' ASP . 5.8 tp -51.73 -47.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 123' ' ' ILE . 24.6 m-20 -52.22 -45.86 65.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.419 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -62.72 -65.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 92' ' ' TYR . 53.9 mt-10 -46.64 -40.06 12.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -52.79 -57.37 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -50.12 -47.89 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.09 -52.71 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.13 -49.69 73.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.42 85.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.55 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.51 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.8 m -50.5 -33.3 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -33.66 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.85 -36.69 70.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 142' ' ' LEU . 10.5 m-85 -66.72 -50.81 61.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.447 ' N ' HD12 ' A' ' 143' ' ' LEU . 2.8 ptmm? -61.09 -37.25 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.3 -42.72 82.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -62.69 -30.16 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.66 28.79 3.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 137' ' ' PHE . 36.5 mt -95.95 -33.45 12.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 138' ' ' LYS . 2.6 mt -108.83 -64.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.56 -167.31 14.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.44 6.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -104.05 29.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.0 p30 42.84 52.0 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.58 109.48 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.2 mt -49.9 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -132.96 -175.03 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 150.13 39.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.72 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -53.32 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -44.58 -43.73 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.58 -48.51 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -48.65 -38.42 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.18 -40.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.03 -32.81 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.454 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.87 -33.25 34.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.88 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -42.74 -31.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -90.15 -55.14 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -88.82 156.32 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.89 70.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -110.4 161.47 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.6 p -77.63 126.73 31.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.0 114.93 1.59 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.35 97.34 7.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -60.47 -47.29 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -72.29 149.89 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.809 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.9 122.58 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt -65.1 -42.43 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.6 mt -42.9 -41.51 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -41.13 -44.08 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -36.48 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -115.01 87.55 15.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -46.43 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.648 2.232 . . . . 0.0 112.413 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -114.14 74.64 2.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.451 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.7 -27.72 26.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -68.1 -35.09 77.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -93.74 -41.0 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.94 -58.55 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.58 -58.1 8.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -50.24 -45.91 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 m -52.85 -38.38 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 HG13 ' CD2' ' A' ' 137' ' ' PHE . 87.6 t -57.62 -73.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.9 mt -53.97 -32.29 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.51 70.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -90.31 -42.09 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -66.22 -54.35 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 109' ' ' TRP . 11.4 mt -102.61 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.08 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.523 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.1 mt -42.26 -42.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.3 p -59.76 -44.58 93.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.6 m-70 -71.42 -49.65 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' HA ' ' CG ' ' A' ' 89' ' ' LYS . . . -37.44 -37.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.5 mttp -38.16 -53.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -38.71 42.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 40.4 mmtt -46.32 -44.81 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.6 mt -104.44 107.16 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 t -107.42 140.15 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.63 123.86 48.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -114.82 120.91 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.437 ' CE1' ' CG2' ' A' ' 103' ' ' VAL . 30.1 m-70 -94.6 143.55 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -117.35 167.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -143.18 130.93 21.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 98' ' ' PRO . . . 150.78 -60.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 97' ' ' GLY . 54.1 Cg_endo -69.76 149.26 66.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -38.24 -64.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -87.73 146.3 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -76.66 143.91 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -125.45 148.43 48.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 14.0 t -130.49 121.97 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.1 m -96.54 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -80.98 106.4 12.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 108' ' ' LYS . 20.2 m-70 -89.79 103.02 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.1 mt -95.11 148.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 31.8 mmtm -115.46 -41.84 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.541 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 50.0 t90 -100.42 138.51 20.2 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.74 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.338 -0.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.2 ptmt -113.13 169.85 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -77.6 106.25 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.02 168.1 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 4.0 mp0 -147.4 153.34 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 33.3 m -145.03 159.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -106.43 146.01 31.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.04 118.63 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -99.16 158.71 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.05 161.61 20.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.4 m -70.2 -55.95 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -101.36 173.28 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -51.09 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 124' ' ' ASP . 6.1 tp -60.61 -43.88 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.461 ' N ' HG23 ' A' ' 123' ' ' ILE . 0.8 OUTLIER -53.87 -49.59 68.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.93 -54.37 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -49.26 -44.56 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -52.48 -57.81 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' ALA . 39.7 mm-40 -47.91 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.35 -63.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 69' ' ' PRO . . . -51.08 -50.62 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.2 -35.65 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.4 -22.33 66.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.59 -35.11 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 88.0 m -46.38 -40.38 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.52 -38.24 83.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.96 -42.48 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.548 ' CD2' HD11 ' A' ' 142' ' ' LEU . 34.2 m-85 -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -67.0 -52.66 39.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.94 -37.5 94.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -61.26 -41.69 97.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.85 27.09 2.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 137' ' ' PHE . 30.6 mt -99.63 -24.54 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 67.9 mt -104.95 -63.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.25 -173.48 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.6 6.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.242 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.477 ' CB ' ' OE2' ' A' ' 148' ' ' GLU . 21.5 mmm180 -111.69 31.39 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.4 44.67 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.477 ' OE2' ' CB ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 67.4 mt -48.64 175.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.436 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 25.5 m-85 -125.99 -176.26 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.19 145.64 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -42.91 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -39.29 -54.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.436 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 31.8 tttm -53.83 -48.41 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.462 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 13.7 m-85 -53.82 -41.84 67.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -54.66 -43.32 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.27 -40.57 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 66.7 mt -56.54 -33.37 66.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.506 ' HB3' ' CE2' ' A' ' 109' ' ' TRP . . . -83.33 -27.58 29.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.57 -51.47 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -55.97 -23.74 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -86.52 -40.88 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -170.58 155.78 25.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 74.4 m -125.63 96.13 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -58.22 -157.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.7 19.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 48.8 m -92.55 136.58 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 50.6 p -86.23 -25.06 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -114.72 93.06 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.9 m -118.7 158.46 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.01 164.37 10.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.4 t -151.24 160.07 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.4 m -129.3 100.9 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.67 -58.37 1.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 167.58 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.5 m -128.7 133.98 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.55 -176.5 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.14 102.51 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -45.21 -38.29 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 mt -45.95 -39.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -41.4 -42.65 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.81 -35.27 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 17.7 m-85 -112.57 94.11 26.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.75 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -43.3 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.33 78.76 44.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.73 -32.99 17.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -63.61 -33.23 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.54 -44.83 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 72' ' ' LEU . 6.0 tt -55.92 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 tp -48.3 -57.47 5.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.87 -44.76 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.3 m -55.17 -42.05 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.8 t -53.14 -71.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -55.34 -35.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.98 -26.52 67.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.428 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -91.56 -32.19 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -77.06 -57.32 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 109' ' ' TRP . 11.9 mt -99.09 -68.35 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.2 124.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mm -39.05 -32.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -70.12 -54.61 12.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -62.5 -40.52 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -45.21 -39.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 82.2 mttt -36.71 -57.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -44.46 63.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -46.39 -35.73 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.4 mt -109.15 110.15 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.43 141.05 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -117.99 115.59 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 108.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -79.49 146.3 32.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.4 p -132.97 154.36 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.74 138.22 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.45 -70.7 0.2 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 175.09 8.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.363 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -60.56 -57.72 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.9 144.38 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.0 149.76 49.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -132.53 132.05 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -128.62 119.47 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.8 m -92.34 109.03 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.5 tp -81.66 108.81 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.448 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 21.6 m-70 -90.57 104.62 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 108' ' ' LYS . 23.1 mt -98.9 151.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.466 ' N ' HG23 ' A' ' 107' ' ' ILE . 45.5 mmtt -118.15 -42.96 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.541 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 35.7 t90 -100.37 138.85 20.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.527 0.679 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.77 -40.73 1.04 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.317 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ptmt -113.7 169.05 9.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -78.41 108.75 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.11 165.9 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 3.4 mp0 -146.4 147.23 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.7 m -139.11 156.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.01 145.3 27.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.66 115.99 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.66 158.95 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.399 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.55 170.4 33.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -76.95 -52.68 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -103.53 170.14 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 123' ' ' ILE . 15.3 ptpt -53.16 -45.02 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 122' ' ' LYS . 6.1 tp -64.51 -37.05 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.96 -44.38 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.66 93.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -63.56 -54.13 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -39.28 -49.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -57.02 -53.54 56.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.34 -54.94 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 69' ' ' PRO . . . -59.11 -47.3 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.53 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.24 33.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 107' ' ' ILE . . . -93.22 -35.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 98.7 m -46.62 -37.77 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 5.8 pt20 -69.96 -33.21 71.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.3 mt -70.29 -42.37 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -65.27 -48.42 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 139' ' ' GLY . 3.2 ptmm? -65.77 -43.61 88.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.1 -34.8 85.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -73.81 -17.66 61.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.51 28.31 8.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.0 mt -91.13 -30.99 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.2 mt -114.97 -66.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.13 -156.09 22.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 10.9 ptt180 -117.06 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 146' ' ' ARG . 4.7 p30 45.59 52.12 9.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.401 ' HG3' ' CG ' ' A' ' 146' ' ' ARG . 8.1 mt-10 -88.94 84.58 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 51.0 mt -44.75 168.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.412 ' CB ' ' HD3' ' A' ' 154' ' ' LYS . 26.2 m-85 -128.23 175.96 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.29 140.05 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.26 10.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.62 -57.91 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.412 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 12.9 tttp -52.84 -43.58 66.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.447 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 6.6 m-85 -55.81 -43.55 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.49 -42.07 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.87 -42.28 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.13 -53.71 49.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.468 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.37 -43.6 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 162' ' ' PHE . 7.1 t70 -49.51 -57.87 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -38.63 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 160' ' ' ASP . 64.8 m-85 -93.04 -39.99 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . 133.01 84.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.1 m -86.98 38.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.888 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 60.37 174.46 1.03 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.24 6.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.7 m -86.04 -56.06 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 p 44.9 42.58 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 p -87.65 48.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -79.78 104.47 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.86 115.53 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -160.42 149.93 17.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t 58.85 41.36 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.96 76.6 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.84 112.94 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 p -148.09 136.29 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -55.11 -43.81 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -112.76 130.65 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.62 -45.62 91.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -42.75 -35.47 1.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -43.91 -46.93 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.98 -36.93 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -105.9 94.73 9.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -43.56 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -125.68 78.52 68.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -39.7 6.11 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 39.5 tttt -54.88 -32.65 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -96.56 -43.78 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 tt -54.3 -58.96 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 tp -53.47 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 70' ' ' LYS . 13.5 m-20 -41.54 -55.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -45.17 -53.33 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.6 t -38.97 -72.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.73 -35.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.401 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.04 -21.7 56.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -97.16 -43.1 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.46 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.5 mt -97.75 -67.17 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.53 124.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 62.8 mt -37.07 -47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.19 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -53.62 -55.04 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.6 m-70 -62.71 -49.44 75.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.61 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' HIS . 17.4 ttpp -36.35 -61.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.51 -44.53 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -39.12 -34.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.88 101.63 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.96 138.33 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -116.11 117.22 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.9 t -108.23 110.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.502 ' CE1' HG23 ' A' ' 103' ' ' VAL . 36.6 m-70 -86.62 151.4 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -130.64 142.15 50.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -117.43 150.5 38.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.93 -73.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.4 66.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -46.53 -51.4 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -85.02 153.06 22.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -95.5 145.8 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.433 ' CE ' ' OE1' ' A' ' 116' ' ' GLU . 29.3 tttt -125.62 132.31 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.502 HG23 ' CE1' ' A' ' 94' ' ' HIS . 13.0 t -123.53 113.93 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 47.2 m -92.51 105.52 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 30.0 tp -81.05 104.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -87.13 104.58 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.3 mt -99.9 148.51 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 36.0 mmtt -115.72 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 55.2 t90 -100.51 138.44 20.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.77 -41.21 0.94 Allowed 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 -0.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.85 170.5 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 m -79.23 107.88 12.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.44 166.32 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -145.83 144.37 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 18.7 m -134.88 152.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' OE1' ' CE ' ' A' ' 102' ' ' LYS . 5.8 mm-40 -99.98 143.51 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -130.94 109.74 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -94.63 160.03 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.69 144.99 4.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 m -54.03 -50.57 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -175.18 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -79.34 -19.87 49.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -82.24 -30.52 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -31.89 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.28 -45.6 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -63.32 -46.0 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -54.49 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -42.13 -54.35 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.18 -54.18 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -57.3 -46.12 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.29 -46.84 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.8 -23.56 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.52 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.05 -43.2 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -61.48 -31.07 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.37 -37.01 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.56 -27.71 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.12 -51.04 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.96 -41.69 95.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -56.81 -22.5 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.34 36.5 6.22 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 44.6 mt -100.04 -25.64 14.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.96 -63.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.56 -168.74 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -35.74 12.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -102.74 28.16 6.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 42.06 49.77 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.21 126.12 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.92 176.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.414 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -130.53 178.19 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.3 OUTLIER -71.49 128.93 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.94 -42.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.12 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 13.5 tttp -46.21 -43.74 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.8 -51.2 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -47.34 -36.56 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.88 -42.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 38.0 mt -54.0 -32.24 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.456 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.04 -29.53 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -61.82 -48.31 81.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -52.09 -28.5 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -82.03 -37.01 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 151.61 160.91 9.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.7 t -82.06 -44.61 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 146.97 -171.7 27.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.49 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 5.4 t -89.75 124.55 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.4 t -133.45 125.01 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -133.52 96.94 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t 58.92 41.82 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.2 61.41 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.0 m -139.53 127.57 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -107.79 175.66 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.51 49.9 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.99 124.77 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -116.41 105.67 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -160.85 165.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.29 120.31 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.02 -34.3 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.8 mt -47.48 -39.03 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -41.43 -44.86 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.16 -36.14 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -107.74 92.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.82 6.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -125.28 74.91 68.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -33.51 16.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.98 -39.94 91.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -90.29 -45.33 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tt -52.98 -50.89 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.16 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -49.12 -51.76 30.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -47.1 -37.92 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.4 t -56.55 -74.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.1 mt -55.24 -32.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.13 -22.5 70.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -96.31 -36.77 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.57 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD11 ' CG ' ' A' ' 109' ' ' TRP . 10.0 mt -95.75 -66.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.18 124.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mm -38.59 -37.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -63.06 -49.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -66.49 -47.61 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.29 -39.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.7 tttp -37.31 -60.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -42.77 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -44.0 -40.63 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.11 111.65 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.92 142.22 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -118.39 121.34 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.41 109.95 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.89 155.49 20.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 t -136.71 156.25 48.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -127.01 149.99 49.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 148.96 -76.89 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 158.89 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -43.91 -54.58 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -84.18 160.3 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.37 147.3 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -122.39 135.21 54.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.84 117.82 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.3 m -95.37 108.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 23.6 tp -82.95 107.49 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -90.1 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.1 mt -99.79 149.43 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 20.2 mmtp -116.86 -41.95 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.541 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 45.4 t90 -100.39 138.62 20.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -40.63 1.06 Allowed 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.359 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.9 169.62 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.4 p -77.53 107.6 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.18 167.21 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -147.86 150.84 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 16.9 m -140.91 152.64 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -103.53 140.99 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.98 129.68 6.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.35 157.22 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.92 178.12 40.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 t -91.4 -47.43 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 165.77 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.22 -27.94 62.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.3 tp -83.01 -31.04 8.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.07 -50.9 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.26 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.34 -50.51 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 40.3 mtt-85 -53.17 -49.56 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -51.73 -61.2 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.64 -61.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.47 -54.3 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.21 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.03 -24.19 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.49 -40.08 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 91.4 m -42.68 -41.1 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.85 -38.57 79.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.19 -45.92 82.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.477 ' CD2' HD12 ' A' ' 142' ' ' LEU . 21.5 m-85 -63.05 -29.65 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -72.69 -47.37 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.32 -45.55 93.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -56.3 -37.28 69.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.97 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 137' ' ' PHE . 37.1 mt -95.97 -29.42 14.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.91 -61.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.74 -164.37 14.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -101.7 33.26 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m120 43.73 51.68 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.64 166.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.442 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 47.8 m-85 -115.83 178.66 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -70.96 132.58 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -36.22 -45.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -51.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 16.1 tttp -46.16 -44.5 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -53.05 -51.16 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.12 -42.7 29.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 76.3 t -74.48 -45.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 41.6 mt -48.94 -50.16 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.511 ' HB1' ' CE2' ' A' ' 109' ' ' TRP . . . -61.11 -58.98 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -43.37 -48.14 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -45.69 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -72.52 -39.29 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 159.51 -133.48 3.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 34.1 p -38.4 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 101.2 81.96 1.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -178.08 2.18 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 42.1 p -78.55 -36.73 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 39.9 t -148.74 110.98 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.458 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' SER . 13.3 t -77.47 115.49 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' SER . 75.7 p 34.9 42.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 58.1 2.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -88.91 107.42 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -143.42 164.18 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.99 83.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.7 176.43 7.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 p -60.51 129.31 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -170.53 160.64 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.15 110.63 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.1 mt -67.31 -42.66 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -45.39 -38.78 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -42.69 -41.43 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.12 -39.34 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 17.1 m-85 -105.24 95.81 10.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.47 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.7 Cg_endo -69.78 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.47 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.5 pm0 -122.9 79.92 50.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -38.35 7.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -59.36 -36.89 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -88.73 -42.07 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.99 -69.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -41.86 -56.97 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -51.38 -53.91 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.26 -43.13 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' A' ' 143' ' ' LEU . 58.7 t -51.93 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.1 mt -54.15 -34.87 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.24 -26.85 64.39 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -92.68 -42.98 9.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.27 -59.79 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.492 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -96.93 -65.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.35 122.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 6.9 mm -37.13 -38.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -60.63 -50.62 72.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.93 -35.97 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -29.57 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -38.47 -61.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.32 -45.97 52.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -37.04 -40.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.09 108.33 16.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.0 t -110.84 144.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.401 ' CE1' HD11 ' A' ' 105' ' ' LEU . 2.7 m-85 -119.19 119.71 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.4 t -110.85 111.77 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -86.18 150.55 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 102' ' ' LYS . 4.7 t -128.3 145.56 51.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -127.35 123.3 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.51 -68.35 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 169.01 19.92 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -49.52 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -88.43 156.42 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -89.23 156.39 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 95' ' ' THR . 34.1 tttm -136.66 146.86 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.2 t -133.09 120.61 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.2 m -94.93 108.62 20.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 24.0 tp -83.1 105.1 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -89.29 103.58 16.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.7 mt -97.64 149.21 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 35.8 mmtt -116.59 -42.13 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 159' ' ' ALA . 51.5 t90 -100.46 138.54 20.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.9 Cg_endo -69.73 -40.97 0.98 Allowed 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.37 -0.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.3 ptmt -113.31 169.83 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 m -78.89 105.93 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.56 164.31 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -143.77 151.88 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 132' ' ' ALA . 28.4 m -141.86 153.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 134.91 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.59 115.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.78 161.14 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.9 162.07 20.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 m -72.1 -54.39 9.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -101.02 163.43 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -43.94 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.9 tp -63.71 -35.55 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.11 -49.02 48.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.42 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.36 -58.04 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 68' ' ' GLN . 26.9 mtp85 -39.27 -55.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -39.06 -59.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.444 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -50.95 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.15 -46.26 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 115' ' ' VAL . . . -51.28 -26.42 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.84 -32.12 15.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 86.2 m -50.0 -33.42 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -68.49 -38.03 80.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.18 -46.18 74.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.567 ' CD2' HD13 ' A' ' 142' ' ' LEU . 9.5 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.71 82.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -62.58 -31.23 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.98 33.16 3.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 137' ' ' PHE . 35.3 mt -98.29 -13.15 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.441 ' CD2' HG23 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -126.9 -69.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 126.7 -161.73 20.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -99.66 31.36 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 40.92 54.78 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.42 123.69 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.39 148.54 45.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.493 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 30.2 m-85 -100.81 -179.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.7 159.42 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.97 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.94 -56.59 9.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.493 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -51.62 -47.72 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -50.76 -47.75 59.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -50.78 -44.22 58.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.26 -38.75 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.444 ' CD1' HD23 ' A' ' 142' ' ' LEU . 43.1 mt -59.42 -33.64 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . . . -82.55 -28.83 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.09 -56.33 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -43.98 -27.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -91.22 -33.83 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 102.42 113.65 3.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 11.0 m -128.0 -49.14 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 169.07 -155.35 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 124.45 11.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 66.3 m -87.04 159.04 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 98.4 p -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -123.19 -53.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -153.06 130.42 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.54 47.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -72.05 -46.09 58.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 t -74.25 114.58 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.69 -67.19 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.85 179.05 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.3 p -129.11 -31.27 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -79.9 -22.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -97.92 82.67 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.2 -43.95 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.72 -39.57 3.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -39.82 -42.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.7 -41.92 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 15.8 m-85 -103.1 95.86 7.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.4 Cg_endo -69.77 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -127.82 80.45 72.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.463 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 54.1 Cg_endo -69.66 -35.81 12.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.23 . . . . 0.0 112.401 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.61 -43.43 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -84.48 -45.81 12.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.42 -65.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -44.12 -58.2 2.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -51.9 -50.26 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -48.57 -38.08 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -56.65 -72.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.404 ' CG2' HD11 ' A' ' 81' ' ' LEU . 48.4 mt -56.2 -35.2 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.452 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -59.64 -26.96 63.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -89.46 -37.89 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.56 -59.89 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 109' ' ' TRP . 11.2 mt -95.52 -61.6 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.68 131.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.452 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 21.6 mt -43.63 -37.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.5 m -61.74 -54.11 46.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -63.43 -46.47 86.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -40.42 -41.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.8 ttmm -36.22 -58.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -72.52 -51.17 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ASP . 47.4 mmtt -34.99 -40.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.6 mt -105.83 114.3 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 t -115.46 140.39 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -115.08 121.77 44.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.13 108.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -80.0 156.22 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 t -131.79 156.72 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -138.06 152.72 49.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.59 -67.06 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -176.93 1.67 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -50.17 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -88.13 151.98 22.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -95.22 136.61 35.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 6.7 ttpm? -120.98 155.26 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.7 t -139.81 119.86 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.3 m -93.14 106.16 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 23.7 tp -80.99 104.48 11.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -84.92 103.26 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.448 HD11 ' CB ' ' A' ' 133' ' ' ALA . 11.2 mt -97.66 145.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.1 mmtp -112.97 -42.32 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.9 t90 -100.37 138.41 20.19 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.2 Cg_endo -69.73 -40.91 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.366 -0.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.93 170.5 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.406 ' C ' HG21 ' A' ' 113' ' ' VAL . 88.2 p -77.99 104.15 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.406 HG21 ' C ' ' A' ' 112' ' ' SER . 2.6 t -135.11 169.06 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -148.11 145.65 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.7 154.5 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -100.88 145.87 28.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.409 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -133.94 116.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.495 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 2.9 m-85 -95.8 163.66 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.11 140.51 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 t -53.68 -39.95 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -115.24 -179.19 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -66.22 -57.67 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 tp -53.66 -25.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -41.3 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.05 92.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.11 -49.65 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -46.99 -51.07 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.4 -51.42 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.409 ' N ' ' HA3' ' A' ' 117' ' ' GLY . . . -44.84 -54.91 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 69' ' ' PRO . . . -56.42 -50.41 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -45.86 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.88 -26.2 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.448 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -89.71 -36.1 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 93.2 m -47.73 -35.5 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -31.88 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 71.3 mt -71.48 -40.38 70.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.471 ' CD2' HD11 ' A' ' 142' ' ' LEU . 15.0 m-85 -65.72 -49.97 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -62.37 -42.29 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.26 -35.96 92.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.03 29.19 4.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 150' ' ' PHE . 34.3 mt -94.67 -37.5 11.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.5 mt -108.05 -65.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.4 -162.45 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -43.08 2.89 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -97.66 29.65 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.5 p30 41.18 47.48 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -94.15 133.99 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.64 169.14 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.4 m-85 -122.65 -176.04 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.82 130.97 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.07 -48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.12 -54.58 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.428 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 20.9 tttt -54.7 -40.4 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -58.95 -48.96 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -50.17 -41.18 48.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.12 -43.38 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 53.8 mt -54.38 -47.24 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.469 ' HB3' ' CE2' ' A' ' 109' ' ' TRP . . . -59.56 -41.48 90.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 163' ' ' GLY . 18.8 t70 -48.5 -53.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.7 mtp85 -42.16 -30.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.422 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 64.6 m-85 -80.27 -35.6 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -97.35 60.09 1.09 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 63.4 p -105.08 171.15 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -51.68 146.41 12.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 151.06 68.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.633 2.222 . . . . 0.0 112.32 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 168' ' ' SER . 92.4 p -110.48 -23.19 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 167' ' ' SER . 13.9 m 35.16 49.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.7 p -108.55 108.45 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.5 p -148.41 154.95 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.8 -89.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.6 p -171.96 157.28 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -70.25 169.19 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.99 139.72 14.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.97 126.57 48.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.072 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -89.1 40.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -131.91 136.56 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.8 t0 46.28 47.94 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 132' ' ' ALA . 36.5 mt -43.28 -28.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.85 -41.89 62.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.84 -43.42 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -85.98 -37.93 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -109.97 99.25 38.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' O ' ' NH2' ' A' ' 127' ' ' ARG . 54.3 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -123.14 74.46 49.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -33.7 16.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -38.72 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -91.32 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.8 tt -43.52 -52.78 5.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 tp -51.39 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.601 ' ND2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -43.94 -52.17 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.601 ' N ' ' ND2' ' A' ' 74' ' ' ASN . 8.3 m -46.58 -34.97 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.12 -72.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.5 mt -55.06 -34.26 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.06 -37.45 91.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -77.66 -41.7 37.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.95 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.601 ' CD1' ' CE ' ' A' ' 89' ' ' LYS . 11.0 mt -104.35 -69.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.39 126.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mp -41.2 -32.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 111.116 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 m -66.22 -52.89 43.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.9 m-70 -65.79 -58.16 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -34.81 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 38.2 mtpt -36.16 -48.43 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -48.32 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.601 ' CE ' ' CD1' ' A' ' 81' ' ' LEU . 14.9 mttm -42.63 -48.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.2 mt -90.03 108.05 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.9 t -113.21 142.72 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.455 ' CE1' HD12 ' A' ' 105' ' ' LEU . 5.9 m-85 -118.76 112.64 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.54 113.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.405 ' CE1' HG22 ' A' ' 103' ' ' VAL . 12.5 m-70 -94.75 138.49 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -109.36 160.77 15.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.14 120.67 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.61 -64.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.56 24.11 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -52.1 -62.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -84.55 148.48 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -90.01 148.51 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.8 ttpm? -128.82 150.74 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.405 HG22 ' CE1' ' A' ' 94' ' ' HIS . 16.8 t -134.55 115.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.7 m -92.72 106.57 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.455 HD12 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.46 107.53 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -88.99 106.58 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 133' ' ' ALA . 15.6 mt -101.14 146.07 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.0 mmtp -113.09 -43.28 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 61.3 t90 -100.57 138.5 20.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.9 Cg_endo -69.77 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.347 -0.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -112.86 169.29 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.1 p -80.04 103.49 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.75 170.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.413 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 3.5 mp0 -148.1 150.72 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 26.8 m -140.15 151.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -100.05 144.6 28.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -131.7 119.83 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.435 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 6.5 m-85 -98.03 153.11 18.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.85 158.8 14.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 t -69.52 -46.94 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.994 0.426 . . . . 0.0 110.855 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.53 169.65 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -56.33 -41.93 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.65 -30.19 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.24 -47.42 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.44 -40.8 61.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.01 -45.52 82.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 67' ' ' PRO . 44.3 mtp180 -57.7 -52.13 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -51.96 -54.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -44.33 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.95 -54.12 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.45 -43.91 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.401 ' HA ' ' CD1' ' A' ' 62' ' ' LEU . . . -55.87 -23.08 28.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 107' ' ' ILE . . . -92.28 -38.62 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.0 m -45.35 -41.96 9.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 8.8 pt20 -60.24 -36.81 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 79.9 mt -66.18 -43.25 87.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -65.72 -34.7 78.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -69.01 -48.02 64.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.0 97.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -59.48 -24.6 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.0 33.03 5.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -96.51 -17.18 20.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.6 mt -118.71 -67.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.28 -162.87 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.28 34.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 39.96 53.77 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.25 121.03 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 40.0 mt -57.98 151.45 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.529 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 17.0 m-85 -103.4 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.63 159.34 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.74 80.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.32 -53.75 40.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.529 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -54.69 -44.85 73.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -56.24 -47.63 78.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -51.1 -33.08 24.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.49 -38.66 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.422 HD13 ' CG ' ' A' ' 154' ' ' LYS . 65.6 mt -58.24 -28.67 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.497 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . . . -86.02 -32.11 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 163' ' ' GLY . 23.6 t70 -58.97 -53.01 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -41.31 -32.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 164' ' ' SER . 94.9 m-85 -78.81 -36.57 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -51.99 90.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 162' ' ' PHE . 16.5 m -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 165.09 176.65 36.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.29 66.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 22.4 t -136.52 135.69 38.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 30.7 t -119.14 121.75 40.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 t 58.71 42.22 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.4 p -79.68 95.36 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.34 143.53 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -121.55 87.25 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.879 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 m -86.38 130.86 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.51 48.67 6.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.75 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 p -78.41 116.07 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.07 -53.59 53.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -103.48 143.76 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt -79.7 -46.48 17.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.39 -41.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -86.96 -37.66 17.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -105.3 94.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -43.82 2.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.375 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -123.3 76.69 52.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.533 0.682 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.27 29.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -65.33 -43.93 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 m120 -87.09 -33.24 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.29 -68.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 137' ' ' PHE . 10.4 tp -46.29 -58.2 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -55.06 -42.4 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.5 m -57.68 -45.57 85.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.2 t -50.22 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.472 HG23 ' CB ' ' A' ' 86' ' ' ALA . 63.4 mt -53.81 -36.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -27.41 59.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.71 -44.21 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.77 64.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.597 ' CD1' ' CD ' ' A' ' 89' ' ' LYS . 8.0 mt -105.58 -66.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 84' ' ' SER . . . 158.06 124.62 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 15.6 mm -33.83 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' GLY . 3.8 m -62.39 -54.33 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' LYS . 94.7 m-70 -62.51 -58.96 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 77' ' ' ILE . . . -36.3 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' HIS . 28.4 ttmt -46.03 -51.04 14.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' LEU . 21.0 t0 -83.95 -51.29 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 6.2 mtpp -39.59 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' ASP . 88.6 mt -119.71 99.7 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.92 146.56 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 4.0 m-85 -118.51 119.12 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -103.16 111.03 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.53 138.35 32.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 p -129.82 134.02 47.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -109.04 153.09 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 162.71 -90.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -179.03 2.61 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.92 -45.66 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -82.95 143.16 30.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HB2' ' NZ ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -86.37 151.08 23.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 116' ' ' GLU . 22.0 tttm -131.16 128.75 40.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.0 t -125.64 121.38 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -96.69 105.29 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.3 tp -80.98 102.61 10.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -83.2 103.01 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.408 HG12 ' CD2' ' A' ' 90' ' ' LEU . 13.0 mt -96.44 148.26 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.0 mmtp -116.39 -41.07 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.538 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.6 t90 -100.39 138.08 20.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.533 0.683 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -41.19 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.346 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.8 ptmt -113.11 171.39 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.402 ' C ' HG21 ' A' ' 113' ' ' VAL . 8.0 m -77.2 101.35 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.402 HG21 ' C ' ' A' ' 112' ' ' SER . 2.6 t -132.17 165.7 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 2.7 mp0 -147.2 142.8 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.9 m -134.68 161.95 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.42 ' CD ' ' HE2' ' A' ' 102' ' ' LYS . 60.3 mm-40 -107.02 151.26 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.92 118.7 1.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 11.9 m-85 -105.21 162.01 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.98 170.96 34.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 m -67.84 -55.11 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -104.94 -178.04 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -63.38 -45.74 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 124' ' ' ASP . 4.1 tp -61.48 -39.38 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 123' ' ' ILE . 7.0 m-20 -62.83 -47.71 82.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.407 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 127' ' ' ARG . 24.1 mt-10 -60.56 -61.99 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' GLU . 23.5 mtp85 -35.64 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.72 -47.93 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.72 -50.87 54.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.64 97.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.71 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.27 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.26 -37.11 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.6 m -45.21 -38.85 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -35.67 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.47 -37.42 82.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.531 ' CE1' HD12 ' A' ' 73' ' ' LEU . 11.7 m-85 -66.33 -53.18 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -61.14 -37.49 83.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.84 -43.77 90.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -62.62 -26.96 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.41 33.68 2.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.438 HD11 ' CD2' ' A' ' 137' ' ' PHE . 38.6 mt -96.2 -33.96 11.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.27 -63.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.13 -160.88 18.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -95.52 29.55 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 40.61 45.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.32 124.69 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.54 173.54 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.436 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 25.3 m-85 -124.74 177.6 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -71.5 138.48 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -39.05 -50.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.404 ' HA ' ' NH2' ' A' ' 156' ' ' ARG . . . -49.32 -60.79 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.436 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 24.7 tttm -49.2 -42.03 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.57 -46.8 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.404 ' NH2' ' HA ' ' A' ' 153' ' ' ALA . 29.3 mtm105 -53.23 -39.55 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.59 -36.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.31 -50.56 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -57.03 -34.25 68.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.98 -46.56 71.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -28.51 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -86.2 -39.16 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 175.13 167.06 33.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.2 m -89.92 133.4 34.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -155.74 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 145.44 56.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 37.0 m -99.87 -175.64 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 85.6 p -116.1 150.9 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 m -91.62 96.07 10.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -78.72 -48.8 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.5 71.1 0.31 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.433 ' CB ' ' HA2' ' A' ' 139' ' ' GLY . 43.7 m -78.29 -52.79 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 p -112.23 156.94 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.47 -73.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.65 148.95 44.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -103.42 -43.88 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 ttm105 -87.46 157.26 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 50.36 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.01 -41.94 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 mt -43.5 -40.68 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -40.75 -40.46 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -86.26 -39.18 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -105.56 106.21 55.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.9 Cg_endo -69.81 -47.83 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.8 pm0 -125.7 83.07 62.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -51.12 -30.51 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.2 -49.24 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt -54.64 -54.61 39.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 tp -53.83 -57.16 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.88 -49.66 62.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.5 m -49.65 -40.87 41.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.2 t -53.78 -69.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.86 -33.01 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.6 -21.76 60.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -94.6 -44.29 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -65.77 -58.93 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' A' ' 109' ' ' TRP . 12.1 mt -95.41 -65.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.94 129.16 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.6 mm -39.84 -38.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.0 m -60.81 -56.65 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -61.53 -44.67 96.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.63 -42.47 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -38.63 -53.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -45.6 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -43.83 -47.73 8.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.0 mt -98.92 111.35 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -113.21 141.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.494 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -114.74 115.85 27.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.7 t -100.64 107.85 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -85.2 119.72 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 p -108.95 150.92 27.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -122.89 159.41 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 153.26 -86.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -42.58 -32.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.51 156.47 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -98.73 149.14 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -133.76 131.1 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.74 118.57 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.0 m -94.78 108.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.494 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.16 106.81 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.0 m-70 -88.7 104.49 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.425 ' CD1' ' CB ' ' A' ' 133' ' ' ALA . 15.6 mt -98.45 148.57 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.6 mmtp -115.74 -41.77 3.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.3 t90 -100.3 138.23 20.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.1 Cg_endo -69.78 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.333 -0.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.7 169.63 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.4 p -78.03 108.81 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.56 167.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.524 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.2 mp0 -147.93 149.84 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.2 m -138.07 157.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.64 141.43 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -128.4 108.87 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.34 158.07 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.993 0.425 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.79 154.19 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 t -67.97 -44.43 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -103.66 159.84 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -57.71 -28.62 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.6 tp -78.27 -28.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.55 -39.98 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.66 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.04 -50.86 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -49.65 -51.4 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -53.31 -58.12 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.49 -58.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -54.76 -55.55 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.57 -41.95 43.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.13 -30.41 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.425 ' CB ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.43 -29.31 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.4 m -51.61 -45.03 63.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -58.03 -30.94 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.14 -42.35 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.551 ' CD2' HD12 ' A' ' 142' ' ' LEU . 11.0 m-85 -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.34 -53.51 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.433 ' HA2' ' CB ' ' A' ' 55' ' ' SER . . . -64.11 -37.18 94.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -60.73 -30.8 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.91 4.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 137' ' ' PHE . 41.1 mt -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.9 mt -104.01 -63.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.55 -166.57 12.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.15 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -102.89 33.38 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.6 m120 40.51 52.22 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -99.96 98.02 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 81.2 mt -44.02 159.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.09 -175.47 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.63 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.42 ' HB1' ' NH1' ' A' ' 156' ' ' ARG . . . -61.92 -30.32 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -70.48 -55.75 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -53.25 -33.35 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.446 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 4.1 m-85 -62.42 -53.81 49.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.42 ' NH1' ' HB1' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -50.71 -41.11 55.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.94 -39.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 33.9 mt -56.99 -53.08 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -51.17 -42.27 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -48.46 -48.04 37.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -49.81 -27.99 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -89.77 -40.39 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -150.59 129.92 3.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 5.2 m -52.8 173.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 173.32 151.32 8.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 87.07 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 13.3 m 46.24 41.83 9.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 53.7 p -169.69 153.9 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 m -109.65 86.76 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -169.09 111.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.7 157.89 16.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.1 p -149.98 135.73 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.7 p -141.86 128.32 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.94 -144.64 10.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.59 167.93 6.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -99.52 147.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -158.71 154.62 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -38.48 120.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.1 mt -66.61 -41.03 89.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.7 -35.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -43.9 -44.81 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -84.17 -38.15 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -106.28 99.62 24.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -44.4 2.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.301 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -123.81 78.96 56.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.91 30.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -69.53 -39.98 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -89.23 -40.13 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' CD1' ' OD1' ' A' ' 147' ' ' ASN . 5.5 tt -58.29 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 137' ' ' PHE . 13.2 tp -56.74 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -50.49 -41.36 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -28.73 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.523 HG12 ' CD2' ' A' ' 137' ' ' PHE . 92.6 t -66.06 -75.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.7 mt -51.96 -35.85 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.455 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -30.59 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -86.96 -41.42 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.05 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -97.33 -69.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 165.39 121.7 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.455 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.5 mm -35.59 -36.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -64.71 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' GLY . 94.8 m-70 -68.81 -41.74 78.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -43.17 -36.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 34.6 tptt -37.66 -53.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -42.6 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -43.6 -43.77 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.4 mt -106.67 108.87 20.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.76 138.52 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -116.19 121.01 40.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.1 t -112.17 116.89 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -90.1 159.69 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 t -138.37 167.2 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -135.4 174.0 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 128.19 -85.56 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 176.77 6.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -82.3 15.3 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.1 130.22 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' N ' ' HE3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -82.37 127.17 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -119.57 130.55 55.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.17 123.52 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.2 m -97.94 106.6 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.0 tp -81.44 102.77 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.15 100.94 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 9.6 mt -95.51 148.84 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 37.9 mmtt -117.52 -43.07 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 37.6 t90 -100.67 138.65 20.15 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.527 0.68 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.8 -41.8 0.85 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -111.35 169.53 8.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.4 m -80.0 107.15 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.8 t -140.69 164.58 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -145.42 146.18 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 m -137.45 157.54 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.71 144.48 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.16 112.47 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -97.42 167.71 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.91 164.67 24.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.5 m -61.04 -57.66 11.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -106.63 178.68 4.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.03 -27.86 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 tp -75.66 -31.26 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.41 -38.98 48.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.96 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.37 -57.07 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -41.88 -56.29 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -49.97 -56.36 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.51 -56.7 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.53 -54.98 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.38 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.93 -22.69 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.71 -33.52 14.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.9 m -49.39 -33.05 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -71.51 -31.79 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.69 -44.79 63.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.523 ' CD2' HG12 ' A' ' 76' ' ' VAL . 27.1 m-85 -59.74 -51.68 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -34.89 78.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.18 72.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -80.75 -23.08 39.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.48 26.53 5.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 137' ' ' PHE . 27.0 mt -100.03 -28.36 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.442 ' CD2' HG23 ' A' ' 76' ' ' VAL . 88.5 mt -111.24 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 117.83 -170.21 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.52 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.7 7.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -107.88 35.36 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.49 ' OD1' ' CD1' ' A' ' 72' ' ' LEU . 3.7 t-20 40.26 54.49 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -99.04 109.33 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 43.5 mt -57.57 179.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 149' ' ' LEU . 22.4 m-85 -138.93 165.76 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.21 156.27 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.07 -29.58 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.71 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -53.62 -35.33 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -64.91 -47.99 75.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -50.67 -36.06 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.37 -38.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.3 -51.86 66.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.491 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.63 -49.12 75.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 163' ' ' GLY . 10.7 t70 -41.23 -60.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 160' ' ' ASP . 56.6 mtp180 -35.22 -36.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 160' ' ' ASP . 42.1 m-85 -87.18 -39.77 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -37.08 127.19 1.16 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 163' ' ' GLY . 66.5 m -36.52 147.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 95.18 83.25 1.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.26 . . . . 0.0 112.358 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.6 p -146.4 121.5 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.2 t -124.76 109.59 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -106.4 -33.5 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.4 p -124.22 157.72 34.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.14 54.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.2 t -160.56 106.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.0 p -100.0 133.85 43.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.0 105.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.52 -47.31 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.9 p -121.0 36.63 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmt-85 -119.78 171.19 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -100.68 126.27 47.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.2 mt -47.08 -39.46 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.68 -42.03 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -41.8 -43.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.81 -47.4 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -102.71 96.66 7.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.92 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -119.68 75.32 18.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -23.8 30.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.304 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -67.62 -33.98 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -95.66 -40.18 9.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.98 -67.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 137' ' ' PHE . 11.2 tp -42.38 -58.12 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -50.99 -53.26 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -48.21 -47.15 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.6 t -46.39 -72.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.6 mt -56.87 -34.48 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.76 -29.6 72.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -87.68 -35.61 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.13 -55.03 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 109' ' ' TRP . 12.4 mt -100.74 -61.45 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.41 128.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 mp -39.95 -36.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -60.88 -54.33 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.0 m-70 -64.68 -47.96 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -35.56 -33.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' HIS . 67.3 mttt -39.91 -64.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 25.8 t70 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . 22.0 mmtm -36.39 -38.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -114.74 106.82 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.92 139.24 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -114.56 121.87 44.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -107.77 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -81.56 123.03 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 p -119.78 136.07 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -106.41 143.38 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.63 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -58.57 -37.33 75.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -93.51 152.73 18.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -90.79 153.43 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -126.92 136.78 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -131.7 118.79 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.6 m -96.54 106.31 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.4 tp -80.97 104.62 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.436 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 7.2 m-70 -86.41 105.28 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 14.5 mt -99.05 149.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 34.5 mmtt -117.74 -42.76 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.543 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 40.0 t90 -100.5 138.39 20.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.72 -41.15 0.95 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.309 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 6.2 ptmt -113.15 169.9 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.416 ' C ' HG22 ' A' ' 113' ' ' VAL . 11.7 m -79.19 107.74 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.416 HG22 ' C ' ' A' ' 112' ' ' SER . 2.6 t -139.94 167.86 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.436 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.4 mp0 -147.48 147.48 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.39 150.93 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.96 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -136.0 117.66 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 2.2 m-85 -107.4 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.469 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 165.53 144.25 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.75 -49.25 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.415 ' HD3' ' CG ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -99.84 -176.44 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -70.01 -43.99 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 127' ' ' ARG . 1.4 tp -62.66 -43.95 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.469 ' CB ' ' HA3' ' A' ' 119' ' ' GLY . 19.2 m-20 -55.88 -37.11 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.42 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -66.51 -72.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -54.05 -37.81 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 123' ' ' ILE . 40.0 ttp180 -58.51 -40.79 83.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.5 -48.03 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.1 -50.68 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.07 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.01 -36.86 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.39 -22.06 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.23 -38.2 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.2 m -45.13 -36.75 3.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 13.7 pt20 -68.06 -32.88 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 92.7 mt -70.67 -36.68 73.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 73' ' ' LEU . 16.1 m-85 -67.89 -49.66 60.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 139' ' ' GLY . 2.9 ptmm? -63.09 -46.8 85.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.17 -38.85 95.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -66.45 -24.41 66.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.4 27.89 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.487 ' O ' ' CE2' ' A' ' 150' ' ' PHE . 35.5 mt -93.3 -30.47 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 -58.85 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.12 -163.89 14.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -36.34 10.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -103.7 29.3 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.02 46.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.04 125.72 37.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.91 174.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.487 ' CE2' ' O ' ' A' ' 142' ' ' LEU . 24.8 m-85 -133.88 179.17 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.76 131.86 44.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -40.06 -40.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.24 -59.19 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -53.16 -48.83 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -51.13 -42.77 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 66.0 t -74.89 -38.72 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 59.7 mt -56.27 -54.55 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.505 ' HB1' ' CE2' ' A' ' 109' ' ' TRP . . . -53.62 -36.07 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.32 -41.54 84.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -56.07 -13.88 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -99.39 15.43 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.42 -120.96 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 12.3 t -90.81 112.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 169.9 -77.11 0.1 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.302 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 20.2 m 65.83 44.12 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 28.1 t -83.77 157.72 21.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 t -63.75 155.67 29.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 p -135.67 168.43 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.57 105.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' SER . 8.8 t -141.1 176.91 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . 32.8 p 37.92 42.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.11 143.9 10.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.06 110.17 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.2 m -68.06 -57.1 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -97.26 132.17 43.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.8 mt -79.03 -43.15 24.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -46.95 -35.72 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.54 -40.0 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.44 -35.36 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 6.8 m-85 -108.43 94.11 12.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.9 Cg_endo -69.73 -40.4 5.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -126.18 79.4 69.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.545 0.688 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -23.8 30.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -80.65 -33.42 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.95 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.1 tp -48.41 -58.17 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -52.65 -46.43 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -52.97 -43.04 66.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 137' ' ' PHE . 96.4 t -51.37 -74.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.412 ' CG2' HD11 ' A' ' 81' ' ' LEU . 67.2 mt -51.65 -31.51 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.48 -33.54 71.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -85.65 -45.84 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 HD11 ' CG2' ' A' ' 77' ' ' ILE . 12.5 mt -107.55 -69.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.03 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.5 mp -39.84 -38.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 111.188 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.1 p -61.7 -52.44 64.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -66.37 -44.37 83.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.3 -33.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -41.66 -58.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -43.96 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -41.64 -41.37 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 39.2 mt -107.94 112.93 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.6 t -114.91 143.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.51 119.12 32.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.79 120.22 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.469 ' CE1' HG23 ' A' ' 103' ' ' VAL . 85.2 m-70 -91.39 155.74 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 t -137.88 133.79 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -114.58 122.02 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.62 -69.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.637 2.225 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 151.25 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -80.08 145.84 32.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -128.77 129.7 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.469 HG23 ' CE1' ' A' ' 94' ' ' HIS . 11.2 t -121.78 128.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.5 m -103.2 109.34 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 tp -81.08 111.2 17.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -92.95 104.69 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 108' ' ' LYS . 17.1 mt -99.29 145.75 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 43.6 mmtt -114.33 -42.41 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.547 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 51.4 t90 -100.82 138.88 20.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.513 0.673 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.78 -41.32 0.93 Allowed 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.284 -0.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.8 ptmt -112.02 169.77 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -80.46 109.39 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.6 t -144.03 166.57 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -144.34 153.4 41.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 m -144.34 158.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -102.88 150.28 23.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -141.41 108.01 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -96.31 167.11 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.66 160.53 18.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.6 m -64.05 -44.1 93.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.945 0.403 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -114.3 -179.56 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.5 -44.78 93.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.9 tp -63.37 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.38 -43.54 97.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.98 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.67 -48.89 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -51.1 -44.03 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.98 -56.08 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.35 -51.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.52 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.76 -42.97 37.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.08 -27.53 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.79 -34.36 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 80.5 m -46.48 -38.0 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -34.32 75.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -39.01 81.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 142' ' ' LEU . 14.8 m-85 -66.6 -51.79 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.427 ' N ' HD11 ' A' ' 143' ' ' LEU . 3.8 ptmm? -60.1 -39.6 86.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.41 97.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 26.0 m0 -69.05 -25.45 64.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.76 30.73 4.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 137' ' ' PHE . 30.8 mt -95.61 -24.98 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -119.33 -68.87 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 130.19 -163.21 23.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.11 5.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -99.3 28.59 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 15.2 p30 41.37 48.91 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -98.8 133.73 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.81 179.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 19.3 m-85 -130.97 -174.25 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.8 OUTLIER -81.12 130.54 35.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.03 -46.44 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.59 -60.17 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -49.84 -42.68 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -57.3 -45.0 84.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -54.07 -39.77 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.3 t -78.4 -43.59 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 50.3 mt -51.87 -33.85 38.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.466 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.11 -31.88 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 163' ' ' GLY . 11.1 t0 -55.21 -58.09 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -41.39 -31.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.441 ' CD2' ' HB2' ' A' ' 110' ' ' PRO . 66.2 m-85 -88.61 -36.4 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . 147.36 152.76 5.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.3 t -93.7 -62.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 119.52 -91.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.97 23.05 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.0 t -72.87 141.73 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 6.1 m -61.23 -47.06 87.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 p -101.1 151.94 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.7 p -79.23 110.72 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.53 64.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -84.06 43.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -123.34 118.03 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.67 -109.69 3.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.61 123.11 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 t -68.31 161.51 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.21 115.95 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.01 104.26 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.6 mt -64.48 -45.35 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 HD11 ' NE2' ' A' ' 128' ' ' GLN . 43.7 mt -42.97 -36.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -43.88 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.72 -35.58 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -110.33 98.13 34.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.22 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.378 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -124.1 79.02 59.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -37.3 9.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -60.16 -34.53 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -92.43 -41.14 10.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.6 -56.36 22.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.64 -56.51 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -50.74 -56.87 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.46 -49.21 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 143' ' ' LEU . 62.2 t -48.38 -73.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.67 -35.26 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.34 99.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.25 -36.7 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -66.82 -59.78 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 109' ' ' TRP . 7.5 mt -101.98 -69.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 169.54 126.78 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.0 mp -38.7 -37.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 111.119 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' GLY . 93.2 m-70 -75.35 -53.57 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.76 -28.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' HIS . 9.2 mtpm? -53.3 -50.53 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -54.06 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.568 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.54 -29.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.2 mt -107.27 102.76 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.45 141.29 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.457 ' CE1' HD13 ' A' ' 105' ' ' LEU . 13.3 m-85 -119.52 110.12 16.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.1 t -95.67 110.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -81.88 127.39 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.6 p -127.08 161.88 27.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.3 164.41 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 157.38 -70.07 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 -30.54 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.03 168.97 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -89.62 150.93 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -128.78 138.12 51.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.53 124.17 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -98.53 106.87 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.457 HD13 ' CE1' ' A' ' 92' ' ' TYR . 26.0 tp -82.19 112.07 18.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.2 m-70 -96.13 103.55 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 108' ' ' LYS . 23.6 mt -94.83 151.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 107' ' ' ILE . 44.3 mmtt -117.88 -42.43 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.579 ' CD1' HD12 ' A' ' 81' ' ' LEU . 56.4 t90 -100.56 138.68 20.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.545 0.688 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.86 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.312 0.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ptmt -112.74 169.96 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.2 p -78.97 107.67 11.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.09 165.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.7 mp0 -145.96 150.97 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.6 m -141.57 175.95 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 28.9 mp0 -119.32 145.81 45.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.463 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -137.25 109.17 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -94.95 169.44 10.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.95 160.71 17.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.5 m -67.02 -50.57 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -102.98 173.17 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -63.97 -39.07 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.72 -30.39 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -45.76 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.82 -47.17 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -59.63 -55.51 33.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -42.6 -57.51 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.453 ' NE2' HD11 ' A' ' 63' ' ' LEU . 22.0 mm-40 -49.67 -49.88 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.463 ' N ' ' HA3' ' A' ' 117' ' ' GLY . . . -47.17 -54.21 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.45 -53.28 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.08 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -54.49 -26.39 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 107' ' ' ILE . . . -88.79 -31.67 18.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.9 m -51.66 -35.85 43.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -62.89 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.52 -44.35 62.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.55 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -67.07 -51.47 54.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.55 98.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -59.0 -33.59 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.24 3.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.4 mt -99.72 -27.51 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 76' ' ' VAL . 2.1 mt -111.02 -61.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.47 -163.83 14.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.12 4.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -104.1 32.43 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 p30 39.93 50.98 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.89 111.15 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 74.7 mt -44.6 165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.492 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 16.5 m-85 -117.53 -178.38 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.95 134.41 37.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.59 -51.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.65 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.492 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 23.7 tttt -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.91 -47.18 74.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -50.23 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.1 t -79.96 -39.15 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 50.8 mt -58.68 -32.14 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 109' ' ' TRP . . . -83.97 -27.65 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -64.77 -52.41 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -49.62 -27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.36 -34.49 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 173.79 125.26 0.84 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.8 t -58.06 120.27 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -56.65 160.4 8.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.94 68.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -80.26 -46.05 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 45.2 m -138.0 169.15 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -116.46 83.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.6 p -74.91 156.11 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.91 -47.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -69.92 100.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.1 p -93.69 171.42 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.68 75.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.72 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.2 m -40.16 -58.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 2.6 mmp_? -66.26 149.8 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.7 146.68 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.39 -43.58 90.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -43.48 -41.46 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -40.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -86.15 -35.73 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 8.6 m-85 -107.68 106.59 58.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.12 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -129.21 84.1 63.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.85 27.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -65.59 -41.64 92.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -89.87 -41.85 11.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.9 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD13 ' CE1' ' A' ' 137' ' ' PHE . 12.8 tp -48.48 -57.2 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -50.26 -52.12 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -50.17 -44.73 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 137' ' ' PHE . 20.2 t -48.25 -71.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.81 -34.58 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -29.73 62.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -86.72 -42.07 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -58.34 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.69 -65.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . 159.9 126.33 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' GLY . 20.9 mt -36.5 -46.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -52.32 -50.72 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' ALA . 97.5 m-70 -69.04 -49.84 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.44 -41.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -35.57 -64.91 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -39.66 -46.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.7 mt -99.18 111.03 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.15 140.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -118.09 122.6 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -108.92 106.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.488 ' CE1' HG23 ' A' ' 103' ' ' VAL . 29.2 m-70 -84.92 150.33 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 t -129.55 154.18 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -133.02 141.23 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.27 -65.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 153.54 68.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -41.43 -64.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 152.36 25.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -88.23 144.88 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -126.42 137.29 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' CE1' ' A' ' 94' ' ' HIS . 17.8 t -130.64 119.59 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.8 m -94.59 106.71 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.0 tp -81.2 104.68 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 22.3 m-70 -86.89 100.99 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 10.8 mt -94.49 149.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 111' ' ' LYS . 42.1 mmtt -116.12 -41.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.539 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 59.2 t90 -100.54 138.13 20.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.0 Cg_endo -69.76 -41.37 0.92 Allowed 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.37 -0.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 108' ' ' LYS . 5.4 ptmt -112.62 170.28 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -78.45 100.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.1 t -131.83 167.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.507 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 2.8 mp0 -148.14 143.31 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 23.7 m -135.78 154.6 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -98.68 150.55 21.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.73 124.89 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.89 164.35 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.59 164.05 22.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 m -59.95 -60.9 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -100.31 174.71 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -59.16 -41.01 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -61.92 -32.12 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.64 -48.46 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.51 -32.95 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.61 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -39.14 -43.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -63.37 -53.53 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.29 -48.95 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.11 -47.39 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.29 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.01 -28.6 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -85.1 -39.64 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m -43.22 -46.1 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -53.97 -39.73 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.76 -46.4 88.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.522 ' CD2' ' CD1' ' A' ' 142' ' ' LEU . 43.5 m-85 -61.54 -43.44 98.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -59.84 -57.42 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.73 -46.0 90.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -55.33 -38.66 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.85 29.08 3.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 137' ' ' PHE . 54.4 mt -90.47 -32.99 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.3 mt -106.2 -64.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 128.29 -163.43 21.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -46.48 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -105.76 41.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 147' ' ' ASN . 5.3 p-10 40.02 52.26 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -102.53 101.34 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 88.5 mt -43.67 164.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.468 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 20.1 m-85 -116.22 177.37 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 134.55 47.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -38.82 -43.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.24 -60.17 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.468 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.4 tttm -48.51 -43.43 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.67 -50.67 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -47.3 -36.08 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.59 -44.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 38.3 mt -51.08 -36.48 40.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB1' ' NE1' ' A' ' 109' ' ' TRP . . . -78.62 -31.48 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -58.42 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -47.92 -28.65 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -79.97 -40.54 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -155.57 -109.77 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 30.7 t -166.86 152.36 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -148.47 89.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 30.8 t -64.46 102.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.6 t -89.86 -48.37 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -133.71 -48.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.1 p -127.46 122.82 34.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -107.68 75.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -94.22 86.21 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 m -161.81 158.1 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.68 95.71 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.69 71.15 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -96.48 114.39 26.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -139.24 152.81 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' LEU . 1.1 m-20 61.72 34.39 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 132' ' ' ALA . 19.7 mt -39.12 -28.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.9 mt -47.36 -44.62 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -40.84 -45.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -76.74 -43.28 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -111.5 105.13 56.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.681 0.753 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -46.3 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -120.53 79.62 29.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.6 29.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -70.28 -39.68 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -88.28 -39.01 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.6 tt -58.49 -65.46 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.24 -57.53 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.58 -45.44 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -55.01 -44.81 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.421 ' CG2' ' CD2' ' A' ' 143' ' ' LEU . 60.5 t -50.61 -67.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -60.3 -31.7 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.52 -22.98 66.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -95.45 -40.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.24 -59.43 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.481 HD23 ' CD1' ' A' ' 109' ' ' TRP . 10.8 mt -98.8 -62.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.16 127.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.1 mt -39.49 -37.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -61.11 -54.66 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -66.44 -43.61 85.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -38.85 -32.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.4 mmtm -35.86 -64.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' LYS . 17.4 t0 -71.72 -48.12 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' ASP . 48.2 mmtt -34.16 -37.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' ASP . 55.1 mt -116.38 105.35 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.19 141.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.96 122.73 44.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -107.15 107.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -78.79 150.28 32.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -128.37 161.19 30.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -144.02 144.34 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.79 -71.94 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 152.15 69.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.57 -46.68 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.24 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -95.68 146.21 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 19.7 tttp -129.7 142.72 50.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.3 120.19 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.474 HG21 ' CD2' ' A' ' 106' ' ' HIS . 24.5 m -96.02 108.62 21.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 21.6 tp -81.25 105.46 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 18.1 m-70 -88.63 102.88 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 12.6 mt -95.99 149.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 12.5 mmtp -116.05 -40.43 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.537 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.3 t90 -100.52 138.2 20.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.54 0.686 . . . . 0.0 110.951 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.8 -41.12 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.8 OUTLIER -113.07 170.37 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 p -77.28 106.68 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.92 168.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.559 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 4.0 mp0 -147.82 150.47 34.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 30.6 m -140.95 153.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -100.83 137.69 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.38 127.8 5.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.482 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 m-85 -111.81 162.46 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.4 178.03 40.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -100.23 169.1 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -46.5 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.5 tp -63.19 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.25 -47.55 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.43 75.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.37 -46.56 82.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -46.29 -55.47 7.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ALA . 13.1 mm-40 -51.26 -60.23 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.27 -60.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.08 -56.24 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.77 -41.53 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' ' 62' ' ' LEU . . . -56.63 -24.92 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.89 -31.02 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.8 m -48.56 -39.81 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 3.3 pt20 -63.74 -31.51 72.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 81.5 mt -72.25 -40.72 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.5 ' CD2' HD13 ' A' ' 142' ' ' LEU . 10.3 m-85 -70.81 -27.16 63.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -72.11 -50.1 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -43.01 93.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -56.18 -32.1 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.27 33.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.5 HD13 ' CD2' ' A' ' 137' ' ' PHE . 51.6 mt -96.92 -30.78 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.421 ' CD2' ' CG2' ' A' ' 76' ' ' VAL . 2.6 mt -111.89 -65.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 119.82 -166.17 13.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.0 3.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -101.24 32.25 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 41.02 34.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -85.63 109.67 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 70.0 mt -57.44 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.543 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 15.9 m-85 -138.17 177.21 8.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -76.01 143.4 41.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 153' ' ' ALA . . . -37.49 -57.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 152' ' ' ALA . . . -36.1 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.543 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 14.6 tttm -57.45 -51.3 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -57.92 -39.78 78.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.1 ttm105 -56.95 -42.51 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.69 -36.67 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.03 -49.21 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.76 75.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.92 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -48.1 -22.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -91.97 -30.49 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 59.87 123.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 86.5 p -86.27 -37.41 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 123.54 -94.93 0.51 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 101.01 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.741 2.294 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 168' ' ' SER . 31.8 p -137.93 127.41 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 167' ' ' SER . 73.4 m -36.9 125.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.9 p -136.03 151.65 50.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -135.72 148.62 48.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.11 -163.95 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -69.76 151.57 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -51.03 122.64 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.58 -57.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.85 148.16 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -94.54 176.15 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.1 mmt-85 -65.78 88.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -123.57 172.68 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.2 mt -90.28 -38.92 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -43.87 -36.38 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -46.72 -42.58 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -82.01 -43.99 17.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.04 103.0 26.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -41.36 4.46 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -130.32 80.43 70.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -36.15 11.37 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -62.61 -31.82 72.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.96 -35.98 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.33 -61.11 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 tp -50.41 -58.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -49.78 -48.46 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -50.82 -45.72 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.456 ' CG2' HD23 ' A' ' 143' ' ' LEU . 97.9 t -48.7 -71.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.06 -34.59 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.14 -22.34 62.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -93.59 -38.22 11.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.3 -60.12 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -93.61 -67.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 163.84 122.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.428 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.6 mm -36.49 -37.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 p -66.35 -49.41 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 82' ' ' GLY . 96.3 m-70 -64.41 -42.92 95.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -42.58 -40.82 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.5 ttpt -36.11 -58.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.46 -45.55 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -45.92 -42.08 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.0 mt -103.04 108.57 19.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 t -111.66 140.67 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -119.58 123.96 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.73 108.24 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -80.42 142.15 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 95' ' ' THR . 1.3 t -117.26 124.13 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.87 160.67 14.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.5 -69.33 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.93 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -61.27 -57.28 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -84.33 145.71 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -82.8 148.98 27.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 95' ' ' THR . 43.3 tttm -138.43 127.58 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 t -113.33 134.58 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.534 HG23 ' CD2' ' A' ' 106' ' ' HIS . 33.0 m -105.51 105.48 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.03 105.79 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.534 ' CD2' HG23 ' A' ' 104' ' ' THR . 9.9 m-70 -90.55 103.44 16.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.405 ' CD1' ' HB1' ' A' ' 133' ' ' ALA . 13.4 mt -96.21 148.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 24.2 mmtp -115.71 -42.79 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.541 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.0 t90 -100.13 138.58 20.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.1 Cg_endo -69.75 -40.73 1.04 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.388 -0.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.7 ptmt -114.25 168.27 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 110.24 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.3 t -144.59 167.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.52 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 5.0 mp0 -146.43 152.74 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.8 m -140.52 163.08 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 143.67 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.28 115.2 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -100.7 162.54 12.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.958 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.79 5.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 m -55.25 -51.52 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -106.92 172.56 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -53.36 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 tp -51.77 -55.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.12 -40.2 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.37 -27.95 68.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -64.89 -53.19 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.34 -49.22 74.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -44.42 -53.57 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -61.55 -53.16 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.42 50.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.04 -23.52 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.405 ' HB1' ' CD1' ' A' ' 107' ' ' ILE . . . -93.51 -29.77 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.81 -33.67 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 2.4 pt20 -67.53 -32.95 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 86.9 mt -71.53 -42.88 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.533 ' CD2' HD13 ' A' ' 142' ' ' LEU . 11.3 m-85 -63.19 -40.71 98.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.46 -58.71 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.62 -39.73 86.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -59.38 -35.85 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.86 29.29 4.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.533 HD13 ' CD2' ' A' ' 137' ' ' PHE . 33.3 mt -90.24 -37.2 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.456 HD23 ' CG2' ' A' ' 76' ' ' VAL . 3.6 mt -103.41 -55.59 2.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.89 -169.61 15.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -32.6 18.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -110.89 28.5 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 44.25 49.75 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -100.22 108.29 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.3 mt -48.19 159.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.449 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -113.59 -179.29 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 152' ' ' ALA . 1.2 m-20 -75.92 131.61 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.13 -45.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.37 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.449 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 22.7 tttm -54.38 -40.51 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.52 -49.9 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -48.84 -39.44 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.79 -41.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 42.5 mt -55.05 -51.62 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.492 ' HB3' ' CE2' ' A' ' 109' ' ' TRP . . . -55.69 -35.89 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' GLY . 9.9 t70 -51.67 -54.76 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -41.39 -33.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.02 -35.42 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -154.8 -106.07 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.3 t -141.2 170.29 16.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -87.86 141.55 17.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -16.3 37.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 20.3 m -43.36 130.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 169' ' ' GLY . 8.3 t -60.24 -48.38 81.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' SER . 1.9 m -101.9 42.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -37.58 140.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.23 -171.28 13.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.4 p -145.98 170.09 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -70.99 104.19 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.13 -104.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.45 140.96 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 m -39.93 149.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.42 103.64 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.28 105.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 mt -74.73 -38.77 62.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.2 mt -44.07 -44.2 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -42.94 -43.09 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.37 -43.76 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -106.94 104.22 50.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -49.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.57 77.53 8.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.415 ' HB2' ' N ' ' A' ' 131' ' ' ALA . 53.7 Cg_endo -69.77 -25.77 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -75.11 -33.37 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.68 -43.11 10.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.0 -63.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -45.89 -58.79 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.42 -54.56 20.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -44.99 -45.25 10.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 65.8 t -50.99 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -55.43 -27.52 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.24 80.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -85.82 -48.89 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.69 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -98.63 -68.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 129.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.2 mp -40.88 -36.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p -63.43 -53.15 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -64.99 -50.42 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.37 -35.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.1 tptm -36.63 -62.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' LYS . 2.1 m-20 -70.86 -44.55 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' ASP . 54.3 mmtt -36.99 -43.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -103.36 111.49 23.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.12 136.92 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.78 121.47 45.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -112.43 110.28 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.539 ' CE1' ' HG3' ' A' ' 122' ' ' LYS . 22.8 m-70 -86.53 142.09 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -117.62 157.86 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 96' ' ' ASN . 0.9 OUTLIER -136.08 127.26 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.88 -71.07 0.17 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.14 43.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -49.49 -53.98 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -85.26 145.47 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -88.4 142.42 27.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -125.52 152.01 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 94' ' ' HIS . 14.6 t -136.02 120.32 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.4 m -92.68 104.44 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 18.5 tp -81.48 104.88 12.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -86.32 104.63 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.3 mt -98.07 146.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.2 mmtp -112.98 -42.65 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' CD1' HD21 ' A' ' 81' ' ' LEU . 33.1 t90 -100.08 138.14 20.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.7 Cg_endo -69.76 -41.24 0.94 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -113.89 168.81 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.411 ' C ' HG23 ' A' ' 113' ' ' VAL . 85.6 p -76.79 102.98 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 112' ' ' SER . 2.7 t -133.98 168.69 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -148.22 145.62 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 132' ' ' ALA . 23.8 m -138.06 157.83 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -101.02 150.42 22.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.57 118.6 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -101.45 161.69 13.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.17 171.27 34.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 t -77.8 -52.71 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.32 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.539 ' HG3' ' CE1' ' A' ' 94' ' ' HIS . 12.0 ttpp -62.61 -59.35 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 124' ' ' ASP . 4.3 tp -54.15 -38.0 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.417 ' N ' HG21 ' A' ' 123' ' ' ILE . 5.2 m-20 -62.14 -50.77 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.98 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.5 -53.81 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -41.02 -52.25 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.01 -51.2 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 115' ' ' VAL . . . -45.22 -54.3 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -59.49 -51.06 71.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.415 ' N ' ' HB2' ' A' ' 69' ' ' PRO . . . -52.66 -40.76 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.415 ' CB ' ' HB ' ' A' ' 115' ' ' VAL . . . -56.25 -22.65 31.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.6 -33.08 14.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.5 m -48.4 -39.36 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 10.3 pt20 -66.13 -35.51 80.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.9 mt -67.68 -40.71 84.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.518 ' CD2' HD11 ' A' ' 142' ' ' LEU . 11.4 m-85 -69.6 -28.32 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -74.78 -45.64 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.95 -44.39 88.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -57.44 -33.14 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.49 36.8 2.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 137' ' ' PHE . 44.3 mt -100.19 -25.72 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.8 mt -110.7 -66.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.32 -166.19 20.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -92.1 30.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.0 52.38 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -110.26 114.07 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.4 mt -44.81 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.407 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 15.8 m-85 -115.94 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -79.92 134.48 36.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -38.8 -48.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.55 -56.94 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.407 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 25.5 tttp -54.32 -41.28 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -48.98 79.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -50.98 -38.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.81 -42.14 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.3 mt -52.52 -37.49 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 109' ' ' TRP . . . -78.59 -27.05 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.04 -59.72 4.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -51.47 -27.36 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -80.37 -38.94 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -137.18 115.04 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.3 t -41.57 -55.34 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 55.73 172.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.79 64.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.1 p -60.98 161.83 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.8 p -121.08 -46.79 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -146.81 148.81 32.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.4 p -70.57 159.46 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -132.18 61.52 0.66 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.0 p -125.25 84.29 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -107.08 163.47 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.28 112.0 3.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.35 -54.78 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -138.85 132.32 30.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 61' ' ' ASP . 14.9 ptp180 -53.24 -45.88 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' ARG . 33.6 t0 -35.13 110.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -83.43 -44.49 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.5 mt -43.52 -38.73 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -41.57 -43.78 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.94 -45.1 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -104.33 93.73 6.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -117.36 77.16 9.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.439 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.74 -32.4 18.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -64.21 -42.11 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -86.79 -42.01 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' C ' ' CD2' ' A' ' 72' ' ' LEU . 5.8 tt -60.14 -57.39 13.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 137' ' ' PHE . 11.8 tp -54.1 -58.12 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -51.34 -50.17 59.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.7 m -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.03 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.5 -35.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -26.48 58.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -89.94 -42.81 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.63 -59.23 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.79 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.57 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.447 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mm -37.81 -36.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -62.53 -51.25 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -68.9 -44.57 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.4 -35.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -44.25 -55.57 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -36.82 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -50.63 -45.32 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -103.88 110.67 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.32 143.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -119.72 118.71 31.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.9 115.13 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -88.75 128.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 102' ' ' LYS . 1.3 t -108.43 142.15 39.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -118.57 155.32 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.94 -66.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.38 67.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -46.77 -46.44 20.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -90.95 163.8 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.75 140.15 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 95' ' ' THR . 40.7 tttm -128.79 131.34 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 t -118.82 125.81 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m -97.81 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.92 106.58 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 13.8 m-70 -91.77 101.84 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 14.9 mt -93.54 149.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 23.2 mmtp -116.42 -43.29 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 159' ' ' ALA . 46.1 t90 -100.57 138.46 20.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.69 -41.27 0.93 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.4 ptmt -112.62 169.78 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 113' ' ' VAL . 97.7 p -80.07 103.54 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 112' ' ' SER . 2.6 t -135.3 168.5 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 5.0 mp0 -147.71 153.03 38.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.9 m -141.6 166.2 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 145.0 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.43 107.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.403 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 m-85 -96.45 162.45 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.45 134.64 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 t -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -104.05 170.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -57.36 -56.41 22.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -42.01 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.2 -45.97 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.403 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -57.87 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.35 -51.31 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -43.5 -48.62 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -61.41 -51.4 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.16 -52.08 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -58.44 -52.13 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.82 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.56 -21.58 53.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -94.29 -31.64 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 94.5 m -49.29 -38.58 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.72 -36.65 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.81 -50.62 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' A' ' 143' ' ' LEU . 17.9 m-85 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -48.79 -58.39 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.37 97.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -59.76 -15.1 17.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.88 35.88 30.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 36.3 mt -96.76 -33.67 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 144' ' ' GLY . 2.6 pp -112.64 -37.75 4.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 143' ' ' LEU . . . 111.59 -171.74 14.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -44.05 2.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.755 2.303 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 15.5 mmp_? -111.66 42.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 146' ' ' ARG . 0.6 OUTLIER 48.04 44.59 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -92.05 84.94 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 mt -38.72 158.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -116.36 -178.7 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.24 145.69 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.58 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -48.27 -56.21 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -52.73 -46.88 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -53.45 -47.61 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -50.86 -35.55 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.48 -43.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 61.9 mt -50.15 -33.74 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.44 -42.51 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -47.69 -49.11 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -35.16 37.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -81.85 -19.58 40.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 123.61 96.64 1.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.0 m -163.16 150.17 12.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -150.8 -155.19 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 167' ' ' SER . 53.8 Cg_endo -69.73 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 166' ' ' PRO . 7.7 t -34.47 120.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 41.7 t -90.2 -54.37 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.0 m -65.51 172.06 3.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 t -46.45 -59.18 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 40.78 54.8 3.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.9 t -109.88 110.62 21.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -48.63 109.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.22 -147.19 8.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.84 95.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -42.81 159.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 -118.79 172.76 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.65 118.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.9 mt -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.59 -34.66 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -44.71 -42.45 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.71 -39.64 13.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.87 87.75 3.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.37 3.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.381 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -116.47 74.7 6.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -23.4 31.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -37.74 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -93.23 -36.87 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.3 -65.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.56 -57.44 8.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -52.07 -48.64 64.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -50.13 -42.3 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.6 t -54.3 -74.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.178 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.24 -24.34 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.91 71.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -93.81 -34.52 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.325 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -57.52 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 109' ' ' TRP . 11.4 mt -100.09 -62.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.01 125.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mt -38.68 -40.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -60.13 -51.76 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.33 -45.13 81.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.26 -39.48 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -38.44 -60.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -45.59 73.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -44.95 -44.86 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.63 106.21 18.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.3 t -108.07 140.0 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.426 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.9 m-85 -118.99 112.84 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.82 108.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -74.5 123.05 24.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 p -120.34 167.85 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -134.54 114.8 13.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.77 -153.32 11.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 97.27 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 44.45 30.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.411 ' HD3' ' CD2' ' A' ' 118' ' ' TYR . 5.4 ptpt -142.98 142.63 31.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -99.11 135.1 40.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 27.2 tttm -130.44 158.37 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.1 t -147.16 119.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.5 m -94.74 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 92' ' ' TYR . 26.5 tp -81.4 104.99 12.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.59 103.12 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.5 mt -97.04 148.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.8 mmtp -116.27 -42.63 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.543 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.6 t90 -100.45 138.68 20.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.554 0.692 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.4 Cg_endo -69.76 -40.9 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.343 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.7 ptmt -113.36 169.15 9.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.4 p -77.89 107.92 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.35 167.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -147.84 149.94 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.7 m -142.3 152.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.96 150.01 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -143.64 110.96 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 2.0 m-85 -97.06 161.88 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.979 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.43 161.72 20.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -66.86 -53.35 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -105.37 169.79 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -53.87 -51.42 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.25 -30.15 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -68.45 -50.62 51.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.77 -53.1 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -49.47 -40.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -60.82 -52.37 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -52.14 -54.59 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -44.88 -53.43 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -59.14 -50.9 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.08 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.43 -21.42 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.34 -37.56 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 69.9 m -45.7 -36.54 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 18.8 pt20 -67.81 -35.83 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 80.4 mt -67.14 -37.81 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 142' ' ' LEU . 16.0 m-85 -70.3 -33.97 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -67.17 -51.79 49.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.07 96.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.3 m0 -56.92 -32.9 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.18 34.24 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 137' ' ' PHE . 36.1 mt -96.78 -20.95 17.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.84 -63.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.05 -163.04 15.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -44.03 2.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 146' ' ' ARG . 13.4 mtp-105 -107.0 38.58 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.4 m120 41.12 50.55 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.15 98.56 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.68 173.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.456 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.0 m-85 -124.44 171.15 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 152' ' ' ALA . 5.1 m-20 -67.64 134.59 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.09 -53.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -45.98 -64.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.456 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.6 tttm -44.71 -49.36 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -52.24 -45.86 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 156' ' ' ARG . 0.7 OUTLIER -50.24 -41.47 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.64 -37.36 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 44.7 mt -57.78 -52.04 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.5 -45.62 80.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 163' ' ' GLY . 11.7 t0 -45.47 -57.45 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' ASP . 7.5 mtp-105 -37.59 -37.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -82.47 -37.48 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -95.63 -146.72 21.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 78.3 p -150.42 178.09 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 99.62 83.36 1.73 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 156.81 62.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 69.7 m -146.96 144.68 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 t -98.82 42.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -105.3 -21.51 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 t -133.09 104.81 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.67 120.47 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -84.98 -52.45 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 2.2 t -136.85 136.13 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . . . -36.86 -49.18 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.21 142.23 32.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -50.66 108.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -39.05 -42.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -118.12 103.83 10.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.6 mt -64.59 -48.19 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.1 mt -47.97 -30.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -47.0 -46.77 21.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.42 -37.6 25.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -103.64 94.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -45.36 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -125.06 79.09 65.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -40.72 5.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -51.84 -35.76 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.62 -35.41 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 72' ' ' LEU . 5.7 tt -63.92 -59.5 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -52.84 -57.6 9.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -54.56 -46.65 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -52.22 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' A' ' 143' ' ' LEU . 80.8 t -54.1 -74.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -51.69 -32.79 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.25 -31.07 77.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ttm-85 -86.23 -37.19 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.28 -58.48 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.06 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 161.03 125.86 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 14.5 mm -37.25 -41.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.5 m -60.31 -44.24 95.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLY . 52.1 m-70 -71.61 -45.11 63.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.29 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -41.29 -52.52 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -41.88 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -48.57 -45.68 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.2 mt -100.01 111.92 24.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.4 t -113.95 139.74 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 126' ' ' GLU . 7.4 m-85 -115.83 117.82 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.0 t -111.13 103.38 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -66.87 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.9 p -116.23 144.34 44.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -101.78 140.36 36.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -169.65 -121.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' LYS . 53.9 Cg_endo -69.74 169.37 19.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' PRO . 2.4 tppp? -36.66 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -86.26 137.33 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.38 140.54 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -120.32 140.53 51.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -125.76 124.47 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.7 m -92.08 102.02 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.421 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 32.1 tp -80.95 101.19 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -82.89 102.5 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 108' ' ' LYS . 13.3 mt -97.44 145.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 21.0 mmtp -113.6 -42.2 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.542 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 50.5 t90 -100.39 138.26 20.15 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.3 Cg_endo -69.69 -41.13 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.329 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.51 170.53 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -78.01 103.37 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.17 166.67 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -147.18 141.61 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.85 164.15 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -108.76 151.18 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -139.17 127.14 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.419 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 8.5 m-85 -99.64 156.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.35 131.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.1 m -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' CE ' ' OD2' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -100.74 165.33 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -49.96 -62.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 124' ' ' ASP . 5.8 tp -51.73 -47.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 123' ' ' ILE . 24.6 m-20 -52.22 -45.86 65.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.419 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -62.72 -65.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 92' ' ' TYR . 53.9 mt-10 -46.64 -40.06 12.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -52.79 -57.37 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -50.12 -47.89 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.09 -52.71 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.13 -49.69 73.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.65 -44.42 85.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.41 -31.55 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.51 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.8 m -50.5 -33.3 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -33.66 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.85 -36.69 70.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 142' ' ' LEU . 10.5 m-85 -66.72 -50.81 61.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.447 ' N ' HD12 ' A' ' 143' ' ' LEU . 2.8 ptmm? -61.09 -37.25 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.3 -42.72 82.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -62.69 -30.16 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.66 28.79 3.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 137' ' ' PHE . 36.5 mt -95.95 -33.45 12.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 138' ' ' LYS . 2.6 mt -108.83 -64.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.56 -167.31 14.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.44 6.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -104.05 29.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.0 p30 42.84 52.0 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.58 109.48 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.2 mt -49.9 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -132.96 -175.03 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 150.13 39.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.72 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -53.32 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -44.58 -43.73 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.58 -48.51 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.417 ' NH2' ' HB3' ' A' ' 168' ' ' SER . 58.1 mtp180 -48.65 -38.42 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.18 -40.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.03 -32.81 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.454 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.87 -33.25 34.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.88 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -42.74 -31.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -85.67 -40.53 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -142.93 115.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.7 p -75.17 175.13 8.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 154.22 -150.61 22.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 130.37 19.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.9 m -117.17 -178.38 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.417 ' HB3' ' NH2' ' A' ' 156' ' ' ARG . 89.7 p -90.45 137.94 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 132' ' ' ALA . 42.0 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 63' ' ' LEU . 23.6 mt -42.9 -41.51 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -41.13 -44.08 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -36.48 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -115.01 87.55 15.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -46.43 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.648 2.232 . . . . 0.0 112.413 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -114.14 74.64 2.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.7 -27.72 26.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -68.1 -35.09 77.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -93.74 -41.0 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 143' ' ' LEU . 4.5 tt -61.94 -58.55 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.493 HD23 HD13 ' A' ' 90' ' ' LEU . 10.6 tp -53.58 -58.1 8.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -50.24 -45.91 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 m -52.85 -38.38 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 137' ' ' PHE . 87.6 t -57.62 -73.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.415 HG23 HD12 ' A' ' 81' ' ' LEU . 57.9 mt -53.97 -32.29 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.51 70.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -90.31 -42.09 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -66.22 -54.35 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 109' ' ' TRP . 11.4 mt -102.61 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.08 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.523 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.1 mt -42.26 -42.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.3 p -59.76 -44.58 93.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.6 m-70 -71.42 -49.65 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 89' ' ' LYS . . . -37.44 -37.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.5 mttp -38.16 -53.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -38.71 42.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 40.4 mmtt -46.32 -44.81 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.493 HD13 HD23 ' A' ' 73' ' ' LEU . 90.6 mt -104.44 107.16 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 t -107.42 140.15 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.63 123.86 48.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -114.82 120.91 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.6 m80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 14.4 ttpt -125.45 148.43 48.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.49 121.97 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.1 m -96.54 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -80.98 106.4 12.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.431 ' HB3' ' NZ ' ' A' ' 108' ' ' LYS . 20.2 m-70 -89.79 103.02 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.451 HG23 HD23 ' A' ' 90' ' ' LEU . 12.1 mt -95.11 148.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 31.8 mmtm -115.46 -41.84 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.62 ' HH2' HD22 ' A' ' 142' ' ' LEU . 50.0 t90 -100.42 138.51 20.2 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.74 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.338 -0.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.2 ptmt -113.13 169.85 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -77.6 106.25 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -138.02 168.1 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.535 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.0 mp0 -147.4 153.34 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 33.3 m -145.03 159.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -106.43 146.01 31.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.04 118.63 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.413 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 6.0 m-85 -99.16 158.71 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.05 161.61 20.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.4 m -70.2 -55.95 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -101.36 173.28 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -51.09 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 124' ' ' ASP . 6.1 tp -60.61 -43.88 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 123' ' ' ILE . 0.8 OUTLIER -53.87 -49.59 68.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.93 -54.37 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -49.26 -44.56 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -52.48 -57.81 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' ALA . 11.4 mm100 -47.91 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.35 -63.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -51.08 -50.62 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.2 -35.65 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -63.4 -22.33 66.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.415 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.59 -35.11 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 88.0 m -46.38 -40.38 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' A' ' 62' ' ' LEU . 13.9 pt20 -60.52 -38.24 83.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.96 -42.48 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 76' ' ' VAL . 34.2 m-85 -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -67.0 -52.66 39.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.94 -37.5 94.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.41 ' HH2' HG21 ' A' ' 113' ' ' VAL . 26.8 m0 -61.26 -41.69 97.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.85 27.09 2.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.62 HD22 ' HH2' ' A' ' 109' ' ' TRP . 30.6 mt -99.63 -24.54 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.56 ' CD2' HD21 ' A' ' 72' ' ' LEU . 67.9 mt -104.95 -63.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.25 -173.48 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.6 6.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.242 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.477 ' CB ' ' OE2' ' A' ' 148' ' ' GLU . 21.5 mmm180 -111.69 31.39 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.4 44.67 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.477 ' OE2' ' CB ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 67.4 mt -48.64 175.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 25.5 m-85 -125.99 -176.26 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.19 145.64 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -42.91 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -39.29 -54.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 31.8 tttm -53.83 -48.41 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.463 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 13.7 m-85 -53.82 -41.84 67.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -54.66 -43.32 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.27 -40.57 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.566 HD13 HD23 ' A' ' 142' ' ' LEU . 66.7 mt -56.54 -33.37 66.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.495 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.33 -27.58 29.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.57 -51.47 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -55.97 -23.74 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 mt -45.95 -39.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -41.4 -42.65 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.81 -35.27 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 17.7 m-85 -112.57 94.11 26.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.75 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -43.3 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.33 78.76 44.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.73 -32.99 17.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -63.61 -33.23 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.54 -44.83 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 tt -55.92 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.503 HD21 HD21 ' A' ' 105' ' ' LEU . 14.2 tp -48.3 -57.47 5.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.87 -44.76 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.3 m -55.17 -42.05 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' LEU . 20.8 t -53.14 -71.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.507 ' CD1' HD21 ' A' ' 90' ' ' LEU . 61.5 mt -55.34 -35.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.98 -26.52 67.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.428 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -91.56 -32.19 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -77.06 -57.32 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.9 mt -99.09 -68.35 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.2 124.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mm -39.05 -32.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -70.12 -54.61 12.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -62.5 -40.52 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -45.21 -39.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 82.2 mttt -36.71 -57.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -44.46 63.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -46.39 -35.73 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 77' ' ' ILE . 31.4 mt -109.15 110.15 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 105' ' ' LEU . 5.4 t -114.43 141.05 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -117.99 115.59 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 108.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -132.53 132.05 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -128.62 119.47 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.434 HG23 ' OE1' ' A' ' 116' ' ' GLU . 92.8 m -92.34 109.03 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.503 HD21 HD21 ' A' ' 73' ' ' LEU . 27.5 tp -81.66 108.81 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.469 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 21.6 m-70 -90.57 104.62 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.1 mt -98.9 151.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 45.5 mmtt -118.15 -42.96 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.553 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 35.7 t90 -100.37 138.85 20.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.527 0.679 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.724 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.6 Cg_endo -69.77 -40.73 1.04 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.317 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ptmt -113.7 169.05 9.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -78.41 108.75 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.536 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -142.11 165.9 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -146.4 147.23 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 129' ' ' ALA . 9.7 m -139.11 156.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.434 ' OE1' HG23 ' A' ' 104' ' ' THR . 2.7 mm-40 -99.01 145.3 27.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.66 115.99 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.66 158.95 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.399 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.55 170.4 33.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -76.95 -52.68 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -103.53 170.14 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 123' ' ' ILE . 15.3 ptpt -53.16 -45.02 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' LYS . 6.1 tp -64.51 -37.05 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.96 -44.38 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.66 93.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -63.56 -54.13 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -39.28 -49.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -57.02 -53.54 56.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.473 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -43.34 -54.94 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -59.11 -47.3 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.53 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.24 33.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 98.7 m -46.62 -37.77 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 5.8 pt20 -69.96 -33.21 71.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.3 mt -70.29 -42.37 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -65.27 -48.42 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.498 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.2 ptmm? -65.77 -43.61 88.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.1 -34.8 85.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.536 ' HH2' HG21 ' A' ' 113' ' ' VAL . 27.3 m0 -73.81 -17.66 61.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.51 28.31 8.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.724 HD11 ' HG3' ' A' ' 110' ' ' PRO . 29.0 mt -91.13 -30.99 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 138' ' ' LYS . 2.2 mt -114.97 -66.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.13 -156.09 22.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 10.9 ptt180 -117.06 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 146' ' ' ARG . 4.4 p-10 45.59 52.12 9.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.415 ' HG3' ' CG ' ' A' ' 146' ' ' ARG . 8.1 mt-10 -88.94 84.58 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 51.0 mt -44.75 168.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.435 ' CB ' ' HD3' ' A' ' 154' ' ' LYS . 26.2 m-85 -128.23 175.96 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.29 140.05 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.26 10.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.62 -57.91 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 12.9 tttp -52.84 -43.58 66.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.451 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 6.6 m-85 -55.81 -43.55 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.49 -42.07 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.87 -42.28 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.13 -53.71 49.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.52 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.37 -43.6 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 162' ' ' PHE . 7.1 t70 -49.51 -57.87 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -38.63 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 160' ' ' ASP . 64.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -42.75 -35.47 1.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -43.91 -46.93 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.98 -36.93 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 22.8 m-85 -105.9 94.73 9.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.1 Cg_endo -69.75 -43.56 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -125.68 78.52 68.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -39.7 6.11 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 39.5 tttt -54.88 -32.65 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -96.56 -43.78 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.53 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.7 tt -54.3 -58.96 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 tp -53.47 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 70' ' ' LYS . 13.5 m-20 -41.54 -55.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -45.17 -53.33 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 137' ' ' PHE . 56.6 t -38.97 -72.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.73 -35.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.04 -21.7 56.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -97.16 -43.1 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.46 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 109' ' ' TRP . 13.5 mt -97.75 -67.17 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.53 124.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.413 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 62.8 mt -37.07 -47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.19 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -53.62 -55.04 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.6 m-70 -62.71 -49.44 75.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.61 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' HIS . 17.4 ttpp -36.35 -61.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.51 -44.53 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -39.12 -34.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.88 101.63 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.96 138.33 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.5 m-85 -116.11 117.22 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.9 t -108.23 110.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.0 m80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HE3' ' CD ' ' A' ' 116' ' ' GLU . 29.3 tttt -125.62 132.31 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.0 t -123.53 113.93 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 47.2 m -92.51 105.52 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 92' ' ' TYR . 30.0 tp -81.05 104.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -87.13 104.58 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.3 mt -99.9 148.51 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 36.0 mmtt -115.72 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 55.2 t90 -100.51 138.44 20.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.77 -41.21 0.94 Allowed 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 -0.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.85 170.5 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 m -79.23 107.88 12.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 114' ' ' GLU . 4.1 t -141.44 166.32 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.518 ' N ' HG12 ' A' ' 113' ' ' VAL . 2.8 mp0 -145.83 144.37 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 129' ' ' ALA . 18.7 m -134.88 152.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' CD ' ' HE3' ' A' ' 102' ' ' LYS . 5.8 mm-40 -99.98 143.51 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.411 ' HA3' ' HB2' ' A' ' 129' ' ' ALA . . . -130.94 109.74 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 6.3 m-85 -94.63 160.03 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.69 144.99 4.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 m -54.03 -50.57 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -175.18 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -79.34 -19.87 49.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -82.24 -30.52 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -31.89 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.28 -45.6 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -63.32 -46.0 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -54.49 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -42.13 -54.35 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.546 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -47.18 -54.18 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -57.3 -46.12 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.29 -46.84 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.46 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -52.8 -23.56 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.096 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.52 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.05 -43.2 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -61.48 -31.07 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.37 -37.01 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.717 ' CD2' HG11 ' A' ' 76' ' ' VAL . 11.1 m-85 -74.56 -27.71 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.12 -51.04 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.96 -41.69 95.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -56.81 -22.5 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.34 36.5 6.22 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' ' 110' ' ' PRO . 44.6 mt -100.04 -25.64 14.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -116.96 -63.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.56 -168.74 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -35.74 12.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -102.74 28.16 6.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 42.06 49.77 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.21 126.12 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.92 176.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.422 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -130.53 178.19 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.3 OUTLIER -71.49 128.93 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.94 -42.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.12 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 13.5 tttp -46.21 -43.74 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.8 -51.2 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -47.34 -36.56 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.88 -42.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 142' ' ' LEU . 38.0 mt -54.0 -32.24 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.04 -29.53 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -61.82 -48.31 81.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -52.09 -28.5 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 132' ' ' ALA . 25.1 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.8 mt -47.48 -39.03 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -41.43 -44.86 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.16 -36.14 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 29.7 m-85 -107.74 92.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.0 Cg_endo -69.74 -39.82 6.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -125.28 74.91 68.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.5 Cg_endo -69.8 -33.51 16.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.98 -39.94 91.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -90.29 -45.33 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -52.98 -50.89 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.16 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -49.12 -51.76 30.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -47.1 -37.92 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 72' ' ' LEU . 59.4 t -56.55 -74.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 81' ' ' LEU . 54.1 mt -55.24 -32.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.13 -22.5 70.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -96.31 -36.77 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.57 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 109' ' ' TRP . 10.0 mt -95.75 -66.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.18 124.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mm -38.59 -37.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -63.06 -49.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -66.49 -47.61 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.29 -39.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.7 tttp -37.31 -60.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -42.77 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -44.0 -40.63 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.11 111.65 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.92 142.22 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.408 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.7 m-85 -118.39 121.34 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.41 109.95 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -122.39 135.21 54.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.84 117.82 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.3 m -95.37 108.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.468 ' HB3' HG23 ' A' ' 115' ' ' VAL . 23.6 tp -82.95 107.49 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -90.1 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.1 mt -99.79 149.43 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 20.2 mmtp -116.86 -41.95 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.553 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 45.4 t90 -100.39 138.62 20.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -40.63 1.06 Allowed 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.359 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.9 169.62 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.4 p -77.53 107.6 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.509 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.18 167.21 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.509 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.9 mp0 -147.86 150.84 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 105' ' ' LEU . 16.9 m -140.91 152.64 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -103.53 140.99 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.98 129.68 6.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.35 157.22 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.92 178.12 40.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 t -91.4 -47.43 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 165.77 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.22 -27.94 62.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.412 ' CG1' ' HE ' ' A' ' 127' ' ' ARG . 7.3 tp -83.01 -31.04 8.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.07 -50.9 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.26 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.34 -50.51 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.412 ' HE ' ' CG1' ' A' ' 123' ' ' ILE . 40.3 mtt-85 -53.17 -49.56 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -51.73 -61.2 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.64 -61.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.47 -54.3 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.07 -44.21 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.03 -24.19 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.49 -40.08 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 91.4 m -42.68 -41.1 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.85 -38.57 79.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.19 -45.92 82.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 142' ' ' LEU . 21.5 m-85 -63.05 -29.65 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -72.69 -47.37 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.32 -45.55 93.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -56.3 -37.28 69.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.97 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.53 HD11 ' HG3' ' A' ' 110' ' ' PRO . 37.1 mt -95.97 -29.42 14.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.91 -61.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.74 -164.37 14.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -101.7 33.26 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m120 43.73 51.68 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.64 166.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.46 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 47.8 m-85 -115.83 178.66 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -70.96 132.58 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -36.22 -45.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -51.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 16.1 tttp -46.16 -44.5 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -53.05 -51.16 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.12 -42.7 29.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 76.3 t -74.48 -45.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.517 HD13 HD23 ' A' ' 142' ' ' LEU . 41.6 mt -48.94 -50.16 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.499 ' HB2' ' CE2' ' A' ' 109' ' ' TRP . . . -61.11 -58.98 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -43.37 -48.14 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -45.69 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -45.39 -38.78 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -42.69 -41.43 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.12 -39.34 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 17.1 m-85 -105.24 95.81 10.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.493 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.7 Cg_endo -69.78 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.5 pm0 -122.9 79.92 50.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.465 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.73 -38.35 7.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -59.36 -36.89 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -88.73 -42.07 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.5 tt -58.99 -69.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 105' ' ' LEU . 11.8 tp -41.86 -56.97 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -51.38 -53.91 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.26 -43.13 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG11 ' HD2' ' A' ' 137' ' ' PHE . 58.7 t -51.93 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CD1' HD21 ' A' ' 90' ' ' LEU . 48.1 mt -54.15 -34.87 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.432 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.24 -26.85 64.39 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -92.68 -42.98 9.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.27 -59.79 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.538 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -96.93 -65.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.35 122.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 6.9 mm -37.13 -38.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -60.63 -50.62 72.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.93 -35.97 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -29.57 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -38.47 -61.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.32 -45.97 52.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -37.04 -40.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 77' ' ' ILE . 60.6 mt -115.09 108.33 16.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.0 t -110.84 144.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.7 m-85 -119.19 119.71 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.4 t -110.85 111.77 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.5 m80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -136.66 146.86 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.2 t -133.09 120.61 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.2 m -94.93 108.62 20.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 73' ' ' LEU . 24.0 tp -83.1 105.1 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -89.29 103.58 16.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 90' ' ' LEU . 13.7 mt -97.64 149.21 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 35.8 mmtt -116.59 -42.13 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 51.5 t90 -100.46 138.54 20.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.9 Cg_endo -69.73 -40.97 0.98 Allowed 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.37 -0.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.3 ptmt -113.31 169.83 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 m -78.89 105.93 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 114' ' ' GLU . 2.8 t -139.56 164.31 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' N ' HG12 ' A' ' 113' ' ' VAL . 5.2 mp0 -143.77 151.88 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 129' ' ' ALA . 28.4 m -141.86 153.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 134.91 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.59 115.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.78 161.14 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.9 162.07 20.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 m -72.1 -54.39 9.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -101.02 163.43 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -43.94 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.9 tp -63.71 -35.55 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.11 -49.02 48.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.42 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.36 -58.04 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 68' ' ' GLN . 26.9 mtp85 -39.27 -55.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.48 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -39.06 -59.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -50.95 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.15 -46.26 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -51.28 -26.42 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.84 -32.12 15.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 86.2 m -50.0 -33.42 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -68.49 -38.03 80.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.18 -46.18 74.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.472 ' HD2' HG11 ' A' ' 76' ' ' VAL . 9.5 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.71 82.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -62.58 -31.23 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.98 33.16 3.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.818 HD23 HD13 ' A' ' 158' ' ' LEU . 35.3 mt -98.29 -13.15 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.436 HD21 ' CG2' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -126.9 -69.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 126.7 -161.73 20.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -99.66 31.36 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASN . . . . . 0.404 ' HB3' HD11 ' A' ' 72' ' ' LEU . 27.4 m-20 40.92 54.78 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.42 123.69 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.39 148.54 45.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.518 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 30.2 m-85 -100.81 -179.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.7 159.42 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.97 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.94 -56.59 9.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.518 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -51.62 -47.72 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -50.76 -47.75 59.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -50.78 -44.22 58.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.26 -38.75 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.818 HD13 HD23 ' A' ' 142' ' ' LEU . 43.1 mt -59.42 -33.64 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -82.55 -28.83 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.09 -56.33 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -43.98 -27.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 132' ' ' ALA . 43.4 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.852 0.358 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.72 -39.57 3.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -39.82 -42.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.7 -41.92 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 15.8 m-85 -103.1 95.86 7.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.4 Cg_endo -69.77 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -127.82 80.45 72.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.1 Cg_endo -69.66 -35.81 12.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.23 . . . . 0.0 112.401 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.61 -43.43 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -84.48 -45.81 12.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.4 tt -55.42 -65.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 90' ' ' LEU . 13.4 tp -44.12 -58.2 2.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -51.9 -50.26 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -48.57 -38.08 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG2' HD21 ' A' ' 143' ' ' LEU . 48.7 t -56.65 -72.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.538 ' CG2' HD12 ' A' ' 81' ' ' LEU . 48.4 mt -56.2 -35.2 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.468 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -59.64 -26.96 63.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -89.46 -37.89 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.56 -59.89 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 77' ' ' ILE . 11.2 mt -95.52 -61.6 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.68 131.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.468 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 21.6 mt -43.63 -37.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.5 m -61.74 -54.11 46.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -63.43 -46.47 86.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -40.42 -41.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.8 ttmm -36.22 -58.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -72.52 -51.17 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ASP . 47.4 mmtt -34.99 -40.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.528 HD13 HD23 ' A' ' 73' ' ' LEU . 58.6 mt -105.83 114.3 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 t -115.46 140.39 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -115.08 121.77 44.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.13 108.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 6.7 ttpm? -120.98 155.26 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.7 t -139.81 119.86 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.3 m -93.14 106.16 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 23.7 tp -80.99 104.48 11.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -84.92 103.26 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 133' ' ' ALA . 11.2 mt -97.66 145.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.1 mmtp -112.97 -42.32 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.9 t90 -100.37 138.41 20.19 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.2 Cg_endo -69.73 -40.91 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.366 -0.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.93 170.5 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -77.99 104.15 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.732 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -135.11 169.06 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.564 ' H ' HG12 ' A' ' 113' ' ' VAL . 2.9 mp0 -148.11 145.65 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.482 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 17.6 m -138.7 154.5 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -100.88 145.87 28.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.43 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -133.94 116.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 2.9 m-85 -95.8 163.66 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.11 140.51 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 t -53.68 -39.95 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -115.24 -179.19 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -66.22 -57.67 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 tp -53.66 -25.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -41.3 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.05 92.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.11 -49.65 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -46.99 -51.07 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.4 -51.42 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.464 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.84 -54.91 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -56.42 -50.41 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -45.86 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -52.88 -26.2 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.528 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -89.71 -36.1 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.542 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 93.2 m -47.73 -35.5 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -31.88 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 71.3 mt -71.48 -40.38 70.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.408 ' CD2' HD13 ' A' ' 142' ' ' LEU . 15.0 m-85 -65.72 -49.97 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.42 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.7 ptmm? -62.37 -42.29 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.26 -35.96 92.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.732 ' HH2' HG21 ' A' ' 113' ' ' VAL . 20.4 m0 -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.03 29.19 4.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 150' ' ' PHE . 34.3 mt -94.67 -37.5 11.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 76' ' ' VAL . 4.5 mt -108.05 -65.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.4 -162.45 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -43.08 2.89 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -97.66 29.65 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.5 p30 41.18 47.48 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -94.15 133.99 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.64 169.14 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.4 m-85 -122.65 -176.04 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.82 130.97 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.07 -48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.12 -54.58 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.452 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 20.9 tttt -54.7 -40.4 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -58.95 -48.96 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -50.17 -41.18 48.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.12 -43.38 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' A' ' 154' ' ' LYS . 53.8 mt -54.38 -47.24 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.504 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -59.56 -41.48 90.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -48.5 -53.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.7 mtp85 -42.16 -30.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.441 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 64.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 132' ' ' ALA . 36.5 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.85 -41.89 62.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.84 -43.42 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -85.98 -37.93 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 17.6 m-85 -109.97 99.25 38.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' O ' ' NH2' ' A' ' 127' ' ' ARG . 54.3 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -123.14 74.46 49.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.547 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.4 Cg_endo -69.74 -33.7 16.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -38.72 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -91.32 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.8 tt -43.52 -52.78 5.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.409 HD21 HD21 ' A' ' 105' ' ' LEU . 13.9 tp -51.39 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.601 ' ND2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -43.94 -52.17 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.601 ' N ' ' ND2' ' A' ' 74' ' ' ASN . 8.3 m -46.58 -34.97 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 72' ' ' LEU . 45.5 t -61.12 -72.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.502 HG22 ' HB2' ' A' ' 86' ' ' ALA . 63.5 mt -55.06 -34.26 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.06 -37.45 91.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -77.66 -41.7 37.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.95 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 89' ' ' LYS . 11.0 mt -104.35 -69.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.39 126.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.807 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.3 mp -41.2 -32.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 m -66.22 -52.89 43.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.9 m-70 -65.79 -58.16 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.502 ' HB2' HG22 ' A' ' 77' ' ' ILE . . . -34.81 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 38.2 mtpt -36.16 -48.43 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -48.32 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.655 ' HD2' HD12 ' A' ' 81' ' ' LEU . 14.9 mttm -42.63 -48.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 77' ' ' ILE . 38.2 mt -90.03 108.05 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.9 t -113.21 142.72 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.474 ' CE1' HD13 ' A' ' 105' ' ' LEU . 5.9 m-85 -118.76 112.64 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.54 113.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.6 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.459 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.8 ttpm? -128.82 150.74 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.55 115.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.7 m -92.72 106.57 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.46 107.53 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -88.99 106.58 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.14 146.07 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.0 mmtp -113.09 -43.28 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 61.3 t90 -100.57 138.5 20.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.561 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.9 Cg_endo -69.77 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.347 -0.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -112.86 169.29 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.1 p -80.04 103.49 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -135.75 170.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.606 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.5 mp0 -148.1 150.72 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 129' ' ' ALA . 26.8 m -140.15 151.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -100.05 144.6 28.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HB1' ' A' ' 125' ' ' ALA . . . -131.7 119.83 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 6.5 m-85 -98.03 153.11 18.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.85 158.8 14.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 t -69.52 -46.94 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.994 0.426 . . . . 0.0 110.855 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.53 169.65 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -56.33 -41.93 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.65 -30.19 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.24 -47.42 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 117' ' ' GLY . . . -74.44 -40.8 61.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.01 -45.52 82.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 67' ' ' PRO . 44.3 mtp180 -57.7 -52.13 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -51.96 -54.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.33 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.95 -54.12 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.45 -43.91 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.506 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.87 -23.08 28.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.28 -38.62 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.0 m -45.35 -41.96 9.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.487 ' OE1' HD21 ' A' ' 62' ' ' LEU . 8.8 pt20 -60.24 -36.81 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 79.9 mt -66.18 -43.25 87.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.44 ' CD2' HG11 ' A' ' 76' ' ' VAL . 22.8 m-85 -65.72 -34.7 78.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -69.01 -48.02 64.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.0 97.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -59.48 -24.6 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.0 33.03 5.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.561 HD11 ' HG3' ' A' ' 110' ' ' PRO . 29.8 mt -96.51 -17.18 20.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 149' ' ' LEU . 8.6 mt -118.71 -67.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.28 -162.87 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.28 34.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 39.96 53.77 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.25 121.03 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 143' ' ' LEU . 40.0 mt -57.98 151.45 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.546 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 17.0 m-85 -103.4 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.63 159.34 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.74 80.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.32 -53.75 40.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -54.69 -44.85 73.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -56.24 -47.63 78.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -51.1 -33.08 24.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.49 -38.66 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 142' ' ' LEU . 65.6 mt -58.24 -28.67 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -86.02 -32.11 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.97 -53.01 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -41.31 -32.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.39 -41.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -86.96 -37.66 17.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 13.1 m-85 -105.3 94.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.1 Cg_endo -69.67 -43.82 2.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.375 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -123.3 76.69 52.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.533 0.682 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.27 29.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -65.33 -43.93 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 m120 -87.09 -33.24 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -61.29 -68.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 tp -46.29 -58.2 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -55.06 -42.4 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.5 m -57.68 -45.57 85.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 72' ' ' LEU . 43.2 t -50.22 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.713 ' CG2' HD12 ' A' ' 81' ' ' LEU . 63.4 mt -53.81 -36.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.432 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -27.41 59.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.71 -44.21 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.77 64.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.713 HD12 ' CG2' ' A' ' 77' ' ' ILE . 8.0 mt -105.58 -66.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 84' ' ' SER . . . 158.06 124.62 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 15.6 mm -33.83 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' GLY . 3.8 m -62.39 -54.33 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' LYS . 94.7 m-70 -62.51 -58.96 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -36.3 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' HIS . 28.4 ttmt -46.03 -51.04 14.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' LEU . 21.0 t0 -83.95 -51.29 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 6.2 mtpp -39.59 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' ASP . 88.6 mt -119.71 99.7 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.92 146.56 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 4.0 m-85 -118.51 119.12 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -103.16 111.03 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HE2' ' CD ' ' A' ' 116' ' ' GLU . 22.0 tttm -131.16 128.75 40.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.0 t -125.64 121.38 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -96.69 105.29 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.3 tp -80.98 102.61 10.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -83.2 103.01 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 133' ' ' ALA . 13.0 mt -96.44 148.26 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.0 mmtp -116.39 -41.07 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CD1' HD11 ' A' ' 81' ' ' LEU . 54.6 t90 -100.39 138.08 20.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.533 0.683 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -41.19 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.346 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.8 ptmt -113.11 171.39 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 m -77.2 101.35 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.634 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -132.17 165.7 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.473 ' H ' HG12 ' A' ' 113' ' ' VAL . 2.7 mp0 -147.2 142.8 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 129' ' ' ALA . 25.9 m -134.68 161.95 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.431 ' CD ' ' HE2' ' A' ' 102' ' ' LYS . 60.3 mm-40 -107.02 151.26 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.92 118.7 1.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.407 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 11.9 m-85 -105.21 162.01 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.98 170.96 34.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 m -67.84 -55.11 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -104.94 -178.04 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -63.38 -45.74 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -61.48 -39.38 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -62.83 -47.71 82.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.407 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 127' ' ' ARG . 24.1 mt-10 -60.56 -61.99 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' GLU . 23.5 mtp85 -35.64 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.72 -47.93 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.573 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -50.72 -50.87 54.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.64 97.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.71 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.27 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -90.26 -37.11 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.6 m -45.21 -38.85 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -35.67 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.47 -37.42 82.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.33 -53.18 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.626 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.1 ptmm? -61.14 -37.49 83.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.84 -43.77 90.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.634 ' HH2' HG21 ' A' ' 113' ' ' VAL . 19.1 m0 -62.62 -26.96 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.41 33.68 2.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 158' ' ' LEU . 38.6 mt -96.2 -33.96 11.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.3 OUTLIER -113.27 -63.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.13 -160.88 18.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -95.52 29.55 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 40.61 45.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.32 124.69 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.427 ' CD2' HG22 ' A' ' 76' ' ' VAL . 65.7 mt -65.54 173.54 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.457 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 25.3 m-85 -124.74 177.6 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -71.5 138.48 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -39.05 -50.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.401 ' HA ' ' NH2' ' A' ' 156' ' ' ARG . . . -49.32 -60.79 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.457 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 24.7 tttm -49.2 -42.03 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.57 -46.8 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 153' ' ' ALA . 29.3 mtm105 -53.23 -39.55 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.59 -36.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 142' ' ' LEU . 46.1 mt -60.31 -50.56 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.433 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -57.03 -34.25 68.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.98 -46.56 71.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -28.51 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.408 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 42.4 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 132' ' ' ALA . 31.0 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 mt -43.5 -40.68 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -40.75 -40.46 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -86.26 -39.18 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 24.2 m-85 -105.56 106.21 55.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.9 Cg_endo -69.81 -47.83 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.8 pm0 -125.7 83.07 62.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -51.12 -30.51 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.2 -49.24 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.622 HD21 HD22 ' A' ' 143' ' ' LEU . 5.9 tt -54.64 -54.61 39.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD23 HD13 ' A' ' 90' ' ' LEU . 11.2 tp -53.83 -57.16 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.88 -49.66 62.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.5 m -49.65 -40.87 41.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG11 ' HD2' ' A' ' 137' ' ' PHE . 88.2 t -53.78 -69.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CD1' HD21 ' A' ' 90' ' ' LEU . 37.2 mt -58.86 -33.01 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.6 -21.76 60.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -94.6 -44.29 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -65.77 -58.93 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 77' ' ' ILE . 12.1 mt -95.41 -65.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.94 129.16 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.6 mm -39.84 -38.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.0 m -60.81 -56.65 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -61.53 -44.67 96.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.63 -42.47 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -38.63 -53.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -45.6 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -43.83 -47.73 8.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 77' ' ' ILE . 37.0 mt -98.92 111.35 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -113.21 141.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.578 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -114.74 115.85 27.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.7 t -100.64 107.85 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.4 mttp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -133.76 131.1 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.74 118.57 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.0 m -94.78 108.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.16 106.81 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.543 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.0 m-70 -88.7 104.49 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.53 HG23 ' CD2' ' A' ' 90' ' ' LEU . 15.6 mt -98.45 148.57 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.6 mmtp -115.74 -41.77 3.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.3 t90 -100.3 138.23 20.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.1 Cg_endo -69.78 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.333 -0.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.7 169.63 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.4 p -78.03 108.81 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -142.56 167.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.2 mp0 -147.93 149.84 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 129' ' ' ALA . 18.2 m -138.07 157.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.64 141.43 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -128.4 108.87 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.34 158.07 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.993 0.425 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.79 154.19 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 t -67.97 -44.43 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -103.66 159.84 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -57.71 -28.62 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.6 tp -78.27 -28.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.55 -39.98 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.66 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.04 -50.86 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -49.65 -51.4 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -53.31 -58.12 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.574 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -38.49 -58.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -54.76 -55.55 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.57 -41.95 43.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -56.13 -30.41 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.509 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -86.43 -29.31 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.4 m -51.61 -45.03 63.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -58.03 -30.94 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.14 -42.35 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.611 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.0 m-85 -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.34 -53.51 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.11 -37.18 94.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -60.73 -30.8 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.91 4.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 110' ' ' PRO . 41.1 mt -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.622 HD22 HD21 ' A' ' 72' ' ' LEU . 9.9 mt -104.01 -63.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.55 -166.57 12.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.15 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -102.89 33.38 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.6 m120 40.51 52.22 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -99.96 98.02 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 81.2 mt -44.02 159.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.09 -175.47 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.63 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.629 ' HB1' ' NH1' ' A' ' 156' ' ' ARG . . . -61.92 -30.32 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -70.48 -55.75 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -53.25 -33.35 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.447 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 4.1 m-85 -62.42 -53.81 49.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.629 ' NH1' ' HB1' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -50.71 -41.11 55.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.94 -39.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.402 HD13 HD23 ' A' ' 142' ' ' LEU . 33.9 mt -56.99 -53.08 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.484 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -51.17 -42.27 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -48.46 -48.04 37.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -49.81 -27.99 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 132' ' ' ALA . 24.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.7 -35.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -43.9 -44.81 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -84.17 -38.15 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 25.3 m-85 -106.28 99.62 24.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.3 Cg_endo -69.84 -44.4 2.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -123.81 78.96 56.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.91 30.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -69.53 -39.98 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -89.23 -40.13 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.749 HD21 ' ND2' ' A' ' 147' ' ' ASN . 5.5 tt -58.29 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD23 HD13 ' A' ' 90' ' ' LEU . 13.2 tp -56.74 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -50.49 -41.36 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -28.73 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.64 ' CG2' HD21 ' A' ' 143' ' ' LEU . 92.6 t -66.06 -75.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 90' ' ' LEU . 54.7 mt -51.96 -35.85 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -30.59 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -86.96 -41.42 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.05 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -97.33 -69.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 165.39 121.7 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.467 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.5 mm -35.59 -36.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -64.71 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' GLY . 94.8 m-70 -68.81 -41.74 78.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -43.17 -36.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 34.6 tptt -37.66 -53.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -42.6 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -43.6 -43.77 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.604 ' CD2' HG23 ' A' ' 107' ' ' ILE . 30.4 mt -106.67 108.87 20.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.76 138.52 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CE1' HD13 ' A' ' 105' ' ' LEU . 5.5 m-85 -116.19 121.01 40.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.1 t -112.17 116.89 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -119.57 130.55 55.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.17 123.52 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.2 m -97.94 106.6 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 92' ' ' TYR . 26.0 tp -81.44 102.77 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -86.15 100.94 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -95.51 148.84 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 37.9 mmtt -117.52 -43.07 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.551 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 37.6 t90 -100.67 138.65 20.15 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.527 0.68 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.732 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.2 Cg_endo -69.8 -41.8 0.85 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -111.35 169.53 8.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.4 m -80.0 107.15 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 114' ' ' GLU . 2.8 t -140.69 164.58 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.448 ' N ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -145.42 146.18 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 m -137.45 157.54 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.71 144.48 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.16 112.47 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -97.42 167.71 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.91 164.67 24.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.5 m -61.04 -57.66 11.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -106.63 178.68 4.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.03 -27.86 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 tp -75.66 -31.26 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.41 -38.98 48.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.96 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.37 -57.07 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -41.88 -56.29 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -49.97 -56.36 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.51 -56.7 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.53 -54.98 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.38 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -57.93 -22.69 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.402 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.71 -33.52 14.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.9 m -49.39 -33.05 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 7.5 pt20 -71.51 -31.79 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 93.0 mt -71.69 -44.79 63.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.539 ' CD2' HG11 ' A' ' 76' ' ' VAL . 27.1 m-85 -59.74 -51.68 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -34.89 78.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.18 72.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -80.75 -23.08 39.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.48 26.53 5.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 158' ' ' LEU . 27.0 mt -100.03 -28.36 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.64 HD21 ' CG2' ' A' ' 76' ' ' VAL . 88.5 mt -111.24 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 117.83 -170.21 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.52 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.7 7.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -107.88 35.36 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASN . . . . . 0.749 ' ND2' HD21 ' A' ' 72' ' ' LEU . 3.7 t-20 40.26 54.49 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -99.04 109.33 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 43.5 mt -57.57 179.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 149' ' ' LEU . 22.4 m-85 -138.93 165.76 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.21 156.27 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.07 -29.58 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.71 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -53.62 -35.33 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -64.91 -47.99 75.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -50.67 -36.06 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.37 -38.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.774 HD13 HD23 ' A' ' 142' ' ' LEU . 39.5 mt -56.3 -51.86 66.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.63 -49.12 75.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 161' ' ' ARG . 10.7 t70 -41.23 -60.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 160' ' ' ASP . 56.6 mtp180 -35.22 -36.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 160' ' ' ASP . 42.1 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 132' ' ' ALA . 47.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.68 -42.03 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -41.8 -43.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.81 -47.4 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -102.71 96.66 7.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.92 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -119.68 75.32 18.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.51 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.0 Cg_endo -69.77 -23.8 30.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -67.62 -33.98 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -95.66 -40.18 9.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.98 -67.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD23 HD13 ' A' ' 90' ' ' LEU . 11.2 tp -42.38 -58.12 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -50.99 -53.26 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -48.21 -47.15 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.5 HG11 ' HD2' ' A' ' 137' ' ' PHE . 58.6 t -46.39 -72.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.443 ' CG2' HD12 ' A' ' 81' ' ' LEU . 57.6 mt -56.87 -34.48 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.76 -29.6 72.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -87.68 -35.61 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.13 -55.03 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD21 ' CD1' ' A' ' 109' ' ' TRP . 12.4 mt -100.74 -61.45 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.41 128.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.738 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.3 mp -39.95 -36.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -60.88 -54.33 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.0 m-70 -64.68 -47.96 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -35.56 -33.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' HIS . 67.3 mttt -39.91 -64.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 25.8 t70 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . 22.0 mmtm -36.39 -38.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD13 HD23 ' A' ' 73' ' ' LEU . 82.9 mt -114.74 106.82 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.92 139.24 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -114.56 121.87 44.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -107.77 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -126.92 136.78 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.499 HG21 ' HG2' ' A' ' 126' ' ' GLU . 17.5 t -131.7 118.79 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.6 m -96.54 106.31 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.406 ' HB3' HG23 ' A' ' 115' ' ' VAL . 17.4 tp -80.97 104.62 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -86.41 105.28 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 14.5 mt -99.05 149.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 34.5 mmtt -117.74 -42.76 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 40.0 t90 -100.5 138.39 20.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.661 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.5 Cg_endo -69.72 -41.15 0.95 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.309 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 6.2 ptmt -113.15 169.9 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 m -79.19 107.74 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.73 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -139.94 167.86 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.527 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -147.48 147.48 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 105' ' ' LEU . 15.8 m -139.39 150.93 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.96 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -136.0 117.66 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 2.2 m-85 -107.4 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 165.53 144.25 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.75 -49.25 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HD3' ' CG ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -99.84 -176.44 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -70.01 -43.99 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 127' ' ' ARG . 1.4 tp -62.66 -43.95 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.482 ' CB ' ' HA3' ' A' ' 119' ' ' GLY . 19.2 m-20 -55.88 -37.11 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.423 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -66.51 -72.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HG2' HG21 ' A' ' 103' ' ' VAL . 11.9 mt-10 -54.05 -37.81 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 123' ' ' ILE . 40.0 ttp180 -58.51 -40.79 83.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.5 -48.03 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.1 -50.68 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.07 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -63.01 -36.86 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.466 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -62.39 -22.06 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.23 -38.2 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.2 m -45.13 -36.75 3.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 13.7 pt20 -68.06 -32.88 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 92.7 mt -70.67 -36.68 73.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.5 ' HD2' HG11 ' A' ' 76' ' ' VAL . 16.1 m-85 -67.89 -49.66 60.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.638 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.9 ptmm? -63.09 -46.8 85.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.17 -38.85 95.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.73 ' HH2' HG21 ' A' ' 113' ' ' VAL . 25.5 m0 -66.45 -24.41 66.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.4 27.89 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.661 HD11 ' HG3' ' A' ' 110' ' ' PRO . 35.5 mt -93.3 -30.47 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -116.63 -58.85 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.12 -163.89 14.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -36.34 10.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -103.7 29.3 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.02 46.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.04 125.72 37.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.91 174.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.487 ' CE2' ' O ' ' A' ' 142' ' ' LEU . 24.8 m-85 -133.88 179.17 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.76 131.86 44.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -40.06 -40.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.24 -59.19 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.4 ' HA ' HD12 ' A' ' 158' ' ' LEU . 8.1 m-85 -53.16 -48.83 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -51.13 -42.77 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 66.0 t -74.89 -38.72 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 155' ' ' TYR . 59.7 mt -56.27 -54.55 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.485 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.62 -36.07 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.32 -41.54 84.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -56.07 -13.88 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 132' ' ' ALA . 43.8 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -46.95 -35.72 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.54 -40.0 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.44 -35.36 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 6.8 m-85 -108.43 94.11 12.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.9 Cg_endo -69.73 -40.4 5.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -126.18 79.4 69.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.545 0.688 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -23.8 30.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -80.65 -33.42 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.0 tt -64.95 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.536 HD23 HD13 ' A' ' 90' ' ' LEU . 13.1 tp -48.41 -58.17 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -52.65 -46.43 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -52.97 -43.04 66.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG11 ' CD2' ' A' ' 137' ' ' PHE . 96.4 t -51.37 -74.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.65 -31.51 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.48 -33.54 71.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -85.65 -45.84 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.404 HD11 ' CD1' ' A' ' 109' ' ' TRP . 12.5 mt -107.55 -69.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.03 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 83' ' ' ILE . 4.5 mp -39.84 -38.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.1 p -61.7 -52.44 64.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -66.37 -44.37 83.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.3 -33.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -41.66 -58.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -43.96 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -41.64 -41.37 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.536 HD13 HD23 ' A' ' 73' ' ' LEU . 39.2 mt -107.94 112.93 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.6 t -114.91 143.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.51 119.12 32.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.79 120.22 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -128.77 129.7 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -121.78 128.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.5 m -103.2 109.34 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 115' ' ' VAL . 18.1 tp -81.08 111.2 17.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -92.95 104.69 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 90' ' ' LEU . 17.1 mt -99.29 145.75 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 43.6 mmtt -114.33 -42.41 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.551 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 51.4 t90 -100.82 138.88 20.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.513 0.673 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.677 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.2 Cg_endo -69.78 -41.32 0.93 Allowed 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.284 -0.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.8 ptmt -112.02 169.77 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -80.46 109.39 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 114' ' ' GLU . 5.6 t -144.03 166.57 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.542 ' N ' HG12 ' A' ' 113' ' ' VAL . 4.9 mp0 -144.34 153.4 41.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 129' ' ' ALA . 20.5 m -144.34 158.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -102.88 150.28 23.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -141.41 108.01 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -96.31 167.11 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.66 160.53 18.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.6 m -64.05 -44.1 93.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.945 0.403 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -114.3 -179.56 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.5 -44.78 93.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.519 HG23 ' OD1' ' A' ' 124' ' ' ASP . 3.9 tp -63.37 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.519 ' OD1' HG23 ' A' ' 123' ' ' ILE . 3.7 m-20 -63.38 -43.54 97.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.98 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.67 -48.89 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -51.1 -44.03 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.98 -56.08 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.431 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -40.35 -51.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.52 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.76 -42.97 37.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.08 -27.53 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.79 -34.36 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 80.5 m -46.48 -38.0 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -34.32 75.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -39.01 81.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.417 ' CD2' HG11 ' A' ' 76' ' ' VAL . 14.8 m-85 -66.6 -51.79 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.698 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.8 ptmm? -60.1 -39.6 86.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.41 97.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 26.0 m0 -69.05 -25.45 64.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.76 30.73 4.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.677 HD11 ' HG3' ' A' ' 110' ' ' PRO . 30.8 mt -95.61 -24.98 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -119.33 -68.87 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 130.19 -163.21 23.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.11 5.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -99.3 28.59 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 15.2 p30 41.37 48.91 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -98.8 133.73 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.81 179.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 19.3 m-85 -130.97 -174.25 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.8 OUTLIER -81.12 130.54 35.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.03 -46.44 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.59 -60.17 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.415 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 11.1 tttp -49.84 -42.68 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -57.3 -45.0 84.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -54.07 -39.77 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.3 t -78.4 -43.59 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.583 HD13 HD23 ' A' ' 142' ' ' LEU . 50.3 mt -51.87 -33.85 38.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.482 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.11 -31.88 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.21 -58.09 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -41.39 -31.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' A' ' 110' ' ' PRO . 66.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 132' ' ' ALA . 27.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 mt -42.97 -36.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -43.88 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.72 -35.58 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 9.2 m-85 -110.33 98.13 34.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.0 Cg_endo -69.75 -45.22 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.378 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -124.1 79.02 59.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.2 Cg_endo -69.8 -37.3 9.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -60.16 -34.53 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -92.43 -41.14 10.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.9 tt -59.6 -56.36 22.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.64 -56.51 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -50.74 -56.87 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.46 -49.21 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.541 HG21 HD21 ' A' ' 143' ' ' LEU . 62.2 t -48.38 -73.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.603 ' CD1' HD21 ' A' ' 90' ' ' LEU . 67.4 mt -51.67 -35.26 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.34 99.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.25 -36.7 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -66.82 -59.78 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 109' ' ' TRP . 7.5 mt -101.98 -69.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 169.54 126.78 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.0 mp -38.7 -37.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' GLY . 93.2 m-70 -75.35 -53.57 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 77' ' ' ILE . . . -39.76 -28.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' HIS . 9.2 mtpm? -53.3 -50.53 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -54.06 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.568 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.54 -29.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 77' ' ' ILE . 19.2 mt -107.27 102.76 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.45 141.29 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 13.3 m-85 -119.52 110.12 16.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.1 t -95.67 110.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 tttt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -128.78 138.12 51.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.53 124.17 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -98.53 106.87 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 26.0 tp -82.19 112.07 18.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.513 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 20.6 m80 -96.13 103.55 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.426 HD11 ' CB ' ' A' ' 133' ' ' ALA . 23.6 mt -94.83 151.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 44.3 mmtt -117.88 -42.43 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.653 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 56.4 t90 -100.56 138.68 20.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.545 0.688 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.86 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.312 0.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ptmt -112.74 169.96 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.2 p -78.97 107.67 11.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.09 165.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.513 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 3.7 mp0 -145.96 150.97 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.6 m -141.57 175.95 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 28.9 mp0 -119.32 145.81 45.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.483 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -137.25 109.17 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -94.95 169.44 10.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.95 160.71 17.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.5 m -67.02 -50.57 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -102.98 173.17 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -63.97 -39.07 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.72 -30.39 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -45.76 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.82 -47.17 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -59.63 -55.51 33.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -42.6 -57.51 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -49.67 -49.88 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.483 ' N ' ' HA3' ' A' ' 117' ' ' GLY . . . -47.17 -54.21 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -58.45 -53.28 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.535 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.13 -44.08 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -54.49 -26.39 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -88.79 -31.67 18.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.9 m -51.66 -35.85 43.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -62.89 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.52 -44.35 62.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.45 ' CD2' HG11 ' A' ' 76' ' ' VAL . 14.6 m-85 -64.55 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -67.07 -51.47 54.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.55 98.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.427 ' HH2' HG21 ' A' ' 113' ' ' VAL . 31.4 m0 -59.0 -33.59 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.24 3.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.673 HD23 HD13 ' A' ' 158' ' ' LEU . 40.4 mt -99.72 -27.51 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.541 HD21 HG21 ' A' ' 76' ' ' VAL . 2.1 mt -111.02 -61.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.47 -163.83 14.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.12 4.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -104.1 32.43 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 p30 39.93 50.98 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.89 111.15 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 74.7 mt -44.6 165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.511 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 16.5 m-85 -117.53 -178.38 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.95 134.41 37.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.59 -51.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.65 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.511 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 23.7 tttt -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.91 -47.18 74.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -50.23 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.1 t -79.96 -39.15 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.673 HD13 HD23 ' A' ' 142' ' ' LEU . 50.8 mt -58.68 -32.14 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.653 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.97 -27.65 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -64.77 -52.41 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -49.62 -27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 132' ' ' ALA . 28.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -43.48 -41.46 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -40.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -86.15 -35.73 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 8.6 m-85 -107.68 106.59 58.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.12 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -129.21 84.1 63.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.85 27.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -65.59 -41.64 92.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -89.87 -41.85 11.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.6 tt -54.9 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.428 HD21 HD21 ' A' ' 105' ' ' LEU . 12.8 tp -48.48 -57.2 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -50.26 -52.12 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -50.17 -44.73 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 72' ' ' LEU . 20.2 t -48.25 -71.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.81 -34.58 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -29.73 62.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -86.72 -42.07 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -58.34 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.69 -65.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . 159.9 126.33 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' GLY . 20.9 mt -36.5 -46.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -52.32 -50.72 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' ALA . 97.5 m-70 -69.04 -49.84 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.44 -41.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -35.57 -64.91 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -39.66 -46.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 HG23 ' A' ' 107' ' ' ILE . 86.7 mt -99.18 111.03 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.15 140.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -118.09 122.6 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -108.92 106.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.42 ' CE1' HG21 ' A' ' 103' ' ' VAL . 29.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -126.42 137.29 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 94' ' ' HIS . 17.8 t -130.64 119.59 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.8 m -94.59 106.71 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.503 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.0 tp -81.2 104.68 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 22.3 m-70 -86.89 100.99 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 133' ' ' ALA . 10.8 mt -94.49 149.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 111' ' ' LYS . 42.1 mmtt -116.12 -41.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 59.2 t90 -100.54 138.13 20.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.0 Cg_endo -69.76 -41.37 0.92 Allowed 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.37 -0.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 108' ' ' LYS . 5.4 ptmt -112.62 170.28 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -78.45 100.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG12 ' N ' ' A' ' 114' ' ' GLU . 10.1 t -131.83 167.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.576 ' N ' HG12 ' A' ' 113' ' ' VAL . 2.8 mp0 -148.14 143.31 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 129' ' ' ALA . 23.7 m -135.78 154.6 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -98.68 150.55 21.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.73 124.89 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.89 164.35 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.59 164.05 22.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 m -59.95 -60.9 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -100.31 174.71 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -59.16 -41.01 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -61.92 -32.12 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.64 -48.46 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.51 -32.95 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.61 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -39.14 -43.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -63.37 -53.53 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -43.29 -48.95 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -64.11 -47.39 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.29 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.43 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -61.01 -28.6 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.511 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -85.1 -39.64 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m -43.22 -46.1 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -53.97 -39.73 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.76 -46.4 88.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.607 ' CD2' HD13 ' A' ' 142' ' ' LEU . 43.5 m-85 -61.54 -43.44 98.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -59.84 -57.42 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.73 -46.0 90.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -55.33 -38.66 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.85 29.08 3.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 137' ' ' PHE . 54.4 mt -90.47 -32.99 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 76' ' ' VAL . 2.3 mt -106.2 -64.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 128.29 -163.43 21.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -46.48 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -105.76 41.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 147' ' ' ASN . 5.3 p-10 40.02 52.26 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -102.53 101.34 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 88.5 mt -43.67 164.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.488 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 20.1 m-85 -116.22 177.37 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 134.55 47.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -38.82 -43.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.24 -60.17 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.488 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.4 tttm -48.51 -43.43 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.67 -50.67 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -47.3 -36.08 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.59 -44.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 142' ' ' LEU . 38.3 mt -51.08 -36.48 40.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.62 -31.48 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -58.42 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -47.92 -28.65 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 132' ' ' ALA . 19.7 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.832 0.348 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -47.36 -44.62 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 12.6 ptpt -40.84 -45.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 14.0 mm-40 -76.74 -43.28 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -111.5 105.13 56.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.681 0.753 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.3 Cg_endo -69.69 -46.3 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.363 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -120.53 79.62 29.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.6 29.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -70.28 -39.68 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -88.28 -39.01 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.6 tt -58.49 -65.46 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.24 -57.53 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -50.58 -45.44 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -55.01 -44.81 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.824 ' CG2' HD21 ' A' ' 143' ' ' LEU . 60.5 t -50.61 -67.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.573 ' CD1' HD21 ' A' ' 90' ' ' LEU . 62.6 mt -60.3 -31.7 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.52 -22.98 66.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -95.45 -40.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.24 -59.43 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 109' ' ' TRP . 10.8 mt -98.8 -62.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.16 127.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.1 mt -39.49 -37.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -61.11 -54.66 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -66.44 -43.61 85.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -38.85 -32.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.4 mmtm -35.86 -64.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' LYS . 17.4 t0 -71.72 -48.12 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' ASP . 48.2 mmtt -34.16 -37.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 77' ' ' ILE . 55.1 mt -116.38 105.35 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.19 141.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.96 122.73 44.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -107.15 107.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 19.7 tttp -129.7 142.72 50.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.3 120.19 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 108.62 21.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 21.6 tp -81.25 105.46 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.597 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 32.0 m80 -88.63 102.88 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 90' ' ' LEU . 12.6 mt -95.99 149.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 12.5 mmtp -116.05 -40.43 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.549 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.3 t90 -100.52 138.2 20.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.54 0.686 . . . . 0.0 110.951 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.8 -41.12 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.8 OUTLIER -113.07 170.37 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 p -77.28 106.68 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -138.92 168.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.597 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 4.0 mp0 -147.82 150.47 34.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 30.6 m -140.95 153.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -100.83 137.69 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.38 127.8 5.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 m-85 -111.81 162.46 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.4 178.03 40.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -100.23 169.1 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -46.5 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 124' ' ' ASP . 7.5 tp -63.19 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 123' ' ' ILE . 1.0 OUTLIER -65.25 -47.55 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.43 75.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.37 -46.56 82.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -46.29 -55.47 7.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ALA . 13.1 mm-40 -51.26 -60.23 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.27 -60.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.08 -56.24 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.77 -41.53 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.687 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -56.63 -24.92 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.89 -31.02 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.8 m -48.56 -39.81 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 3.3 pt20 -63.74 -31.51 72.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 81.5 mt -72.25 -40.72 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.725 ' HD2' HG11 ' A' ' 76' ' ' VAL . 10.3 m-85 -70.81 -27.16 63.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -72.11 -50.1 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -43.01 93.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.461 ' HH2' HG21 ' A' ' 113' ' ' VAL . 30.3 m0 -56.18 -32.1 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.27 33.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.707 HD23 HD13 ' A' ' 158' ' ' LEU . 51.6 mt -96.92 -30.78 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.824 HD21 ' CG2' ' A' ' 76' ' ' VAL . 2.6 mt -111.89 -65.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 119.82 -166.17 13.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.0 3.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -101.24 32.25 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 41.02 34.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -85.63 109.67 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 70.0 mt -57.44 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.556 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 15.9 m-85 -138.17 177.21 8.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -76.01 143.4 41.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 153' ' ' ALA . . . -37.49 -57.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 152' ' ' ALA . . . -36.1 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.556 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 14.6 tttm -57.45 -51.3 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.449 ' HA ' HD12 ' A' ' 158' ' ' LEU . 29.3 m-85 -57.92 -39.78 78.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.1 ttm105 -56.95 -42.51 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.69 -36.67 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.707 HD13 HD23 ' A' ' 142' ' ' LEU . 65.4 mt -57.03 -49.21 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.76 75.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.92 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -48.1 -22.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 132' ' ' ALA . 27.2 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -43.87 -36.38 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -46.72 -42.58 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -82.01 -43.99 17.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.04 103.0 26.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -41.36 4.46 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -130.32 80.43 70.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 54.1 Cg_endo -69.74 -36.15 11.37 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -62.61 -31.82 72.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.96 -35.98 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.5 tt -66.33 -61.11 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 90' ' ' LEU . 11.1 tp -50.41 -58.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -49.78 -48.46 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -50.82 -45.72 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.74 ' CG2' HD21 ' A' ' 143' ' ' LEU . 97.9 t -48.7 -71.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.06 -34.59 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.14 -22.34 62.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -93.59 -38.22 11.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.3 -60.12 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -93.61 -67.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 163.84 122.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.442 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.6 mm -36.49 -37.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 p -66.35 -49.41 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 82' ' ' GLY . 96.3 m-70 -64.41 -42.92 95.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -42.58 -40.82 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.5 ttpt -36.11 -58.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.46 -45.55 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -45.92 -42.08 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 73' ' ' LEU . 19.0 mt -103.04 108.57 19.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 t -111.66 140.67 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -119.58 123.96 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.73 108.24 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.504 ' CG ' HG22 ' A' ' 103' ' ' VAL . 12.4 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -138.43 127.58 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.504 HG22 ' CG ' ' A' ' 94' ' ' HIS . 9.1 t -113.33 134.58 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.0 m -105.51 105.48 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.03 105.79 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.43 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 21.3 m80 -90.55 103.44 16.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 133' ' ' ALA . 13.4 mt -96.21 148.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 24.2 mmtp -115.71 -42.79 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.555 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.0 t90 -100.13 138.58 20.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.1 Cg_endo -69.75 -40.73 1.04 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.388 -0.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.7 ptmt -114.25 168.27 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 110.24 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 114' ' ' GLU . 5.3 t -144.59 167.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.547 ' N ' HG12 ' A' ' 113' ' ' VAL . 5.0 mp0 -146.43 152.74 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 129' ' ' ALA . 9.8 m -140.52 163.08 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 143.67 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.28 115.2 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -100.7 162.54 12.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.958 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.79 5.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 m -55.25 -51.52 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -106.92 172.56 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -53.36 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 124' ' ' ASP . 4.5 tp -51.77 -55.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.576 ' H ' HG23 ' A' ' 123' ' ' ILE . 2.2 m-20 -50.12 -40.2 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.37 -27.95 68.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -64.89 -53.19 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.34 -49.22 74.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.518 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.42 -53.57 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -61.55 -53.16 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -53.94 -31.42 50.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -66.04 -23.52 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.449 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -93.51 -29.77 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.81 -33.67 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 7.8 pt20 -67.53 -32.95 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 86.9 mt -71.53 -42.88 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.502 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.3 m-85 -63.19 -40.71 98.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.46 -58.71 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.62 -39.73 86.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -59.38 -35.85 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.86 29.29 4.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.24 -37.2 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.74 HD21 ' CG2' ' A' ' 76' ' ' VAL . 3.6 mt -103.41 -55.59 2.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.89 -169.61 15.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -32.6 18.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -110.89 28.5 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 44.25 49.75 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -100.22 108.29 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.3 mt -48.19 159.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.471 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -113.59 -179.29 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 152' ' ' ALA . 1.2 m-20 -75.92 131.61 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.13 -45.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.37 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.471 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 22.7 tttm -54.38 -40.51 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.52 -49.9 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -48.84 -39.44 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.79 -41.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 42.5 mt -55.05 -51.62 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -55.69 -35.89 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.67 -54.76 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -41.39 -33.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.902 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.852 0.358 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 63' ' ' LEU . 25.2 mt -44.07 -44.2 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -42.94 -43.09 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.37 -43.76 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 24.1 m-85 -106.94 104.22 50.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.5 Cg_endo -69.82 -49.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.57 77.53 8.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.448 ' HB2' ' N ' ' A' ' 131' ' ' ALA . 53.7 Cg_endo -69.77 -25.77 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -75.11 -33.37 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -90.68 -43.11 10.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -58.0 -63.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -45.89 -58.79 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.42 -54.56 20.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -44.99 -45.25 10.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG21 HD21 ' A' ' 143' ' ' LEU . 65.8 t -50.99 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -55.43 -27.52 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.24 80.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -85.82 -48.89 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.69 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -98.63 -68.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 129.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 83' ' ' ILE . 4.2 mp -40.88 -36.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p -63.43 -53.15 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -64.99 -50.42 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.37 -35.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.1 tptm -36.63 -62.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' LYS . 2.1 m-20 -70.86 -44.55 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' ASP . 54.3 mmtt -36.99 -43.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.448 HD23 HG23 ' A' ' 107' ' ' ILE . 92.7 mt -103.36 111.49 23.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.12 136.92 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.78 121.47 45.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -112.43 110.28 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.0 m80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -125.52 152.01 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.6 t -136.02 120.32 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.4 m -92.68 104.44 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 130' ' ' ALA . 18.5 tp -81.48 104.88 12.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -86.32 104.63 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 133' ' ' ALA . 13.3 mt -98.07 146.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.2 mmtp -112.98 -42.65 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.616 ' CD1' HD21 ' A' ' 81' ' ' LEU . 33.1 t90 -100.08 138.14 20.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.727 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.7 Cg_endo -69.76 -41.24 0.94 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -113.89 168.81 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.6 p -76.79 102.98 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.677 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.7 t -133.98 168.69 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.56 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.6 mp0 -148.22 145.62 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 129' ' ' ALA . 23.8 m -138.06 157.83 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -101.02 150.42 22.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.57 118.6 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -101.45 161.69 13.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.17 171.27 34.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 t -77.8 -52.71 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.32 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -62.61 -59.35 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.3 tp -54.15 -38.0 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.14 -50.77 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.98 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.5 -53.81 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -41.02 -52.25 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.01 -51.2 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -45.22 -54.3 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.459 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -59.49 -51.06 71.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.448 ' N ' ' HB2' ' A' ' 69' ' ' PRO . . . -52.66 -40.76 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -56.25 -22.65 31.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.6 -33.08 14.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.5 m -48.4 -39.36 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 10.3 pt20 -66.13 -35.51 80.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.9 mt -67.68 -40.71 84.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.51 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.4 m-85 -69.6 -28.32 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -74.78 -45.64 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.95 -44.39 88.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.677 ' HH2' HG21 ' A' ' 113' ' ' VAL . 24.3 m0 -57.44 -33.14 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.49 36.8 2.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.727 HD11 ' HG3' ' A' ' 110' ' ' PRO . 44.3 mt -100.19 -25.72 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.535 HD21 HG21 ' A' ' 76' ' ' VAL . 1.8 mt -110.7 -66.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.32 -166.19 20.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -92.1 30.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.0 52.38 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -110.26 114.07 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.407 ' CD2' HG22 ' A' ' 76' ' ' VAL . 65.4 mt -44.81 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 15.8 m-85 -115.94 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -79.92 134.48 36.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.632 ' HB1' HH12 ' A' ' 156' ' ' ARG . . . -38.8 -48.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.55 -56.94 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.423 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 25.5 tttp -54.32 -41.28 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -48.98 79.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.632 HH12 ' HB1' ' A' ' 152' ' ' ALA . 55.9 mtt85 -50.98 -38.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.81 -42.14 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.675 HD13 HD23 ' A' ' 142' ' ' LEU . 39.3 mt -52.52 -37.49 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.59 -27.05 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.04 -59.72 4.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -51.47 -27.36 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.5 mt -43.52 -38.73 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -41.57 -43.78 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.94 -45.1 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -104.33 93.73 6.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -117.36 77.16 9.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.74 -32.4 18.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -64.21 -42.11 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -86.79 -42.01 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.618 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.8 tt -60.14 -57.39 13.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.1 -58.12 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -51.34 -50.17 59.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.7 m -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 72' ' ' LEU . 46.5 t -53.03 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.5 -35.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -26.48 58.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -89.94 -42.81 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.63 -59.23 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.79 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.57 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.447 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mm -37.81 -36.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -62.53 -51.25 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -68.9 -44.57 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.4 -35.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -44.25 -55.57 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -36.82 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -50.63 -45.32 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.417 HD23 HG23 ' A' ' 107' ' ' ILE . 91.9 mt -103.88 110.67 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.32 143.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -119.72 118.71 31.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.9 115.13 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mttm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -128.79 131.34 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.415 HG21 ' HG2' ' A' ' 126' ' ' GLU . 11.4 t -118.82 125.81 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m -97.81 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.92 106.58 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 13.8 m-70 -91.77 101.84 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' A' ' 133' ' ' ALA . 14.9 mt -93.54 149.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 23.2 mmtp -116.42 -43.29 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.577 ' CH2' HD22 ' A' ' 142' ' ' LEU . 46.1 t90 -100.57 138.46 20.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.69 -41.27 0.93 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.4 ptmt -112.62 169.78 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.7 p -80.07 103.54 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.817 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -135.3 168.5 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.55 ' H ' HG12 ' A' ' 113' ' ' VAL . 5.0 mp0 -147.71 153.03 38.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 129' ' ' ALA . 13.9 m -141.6 166.2 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 145.0 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -138.43 107.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.41 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 m-85 -96.45 162.45 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.45 134.64 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 t -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -104.05 170.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -57.36 -56.41 22.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.646 ' O ' HD12 ' A' ' 123' ' ' ILE . 0.4 OUTLIER -56.71 -42.01 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.2 -45.97 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -57.87 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HG2' HG21 ' A' ' 103' ' ' VAL . 17.8 mt-10 -55.35 -51.31 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -43.5 -48.62 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -61.41 -51.4 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.533 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -45.16 -52.08 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -58.44 -52.13 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.46 -40.82 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -58.56 -21.58 53.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -94.29 -31.64 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' CYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 94.5 m -49.29 -38.58 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.72 -36.65 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.81 -50.62 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.794 ' HB3' HD23 ' A' ' 143' ' ' LEU . 17.9 m-85 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.471 ' HB2' HD11 ' A' ' 143' ' ' LEU . 30.8 tttm -48.79 -58.39 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.37 97.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.817 ' HH2' HG21 ' A' ' 113' ' ' VAL . 29.6 m0 -59.76 -15.1 17.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.88 35.88 30.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.577 HD22 ' CH2' ' A' ' 109' ' ' TRP . 36.3 mt -96.76 -33.67 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.794 HD23 ' HB3' ' A' ' 137' ' ' PHE . 2.6 pp -112.64 -37.75 4.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.722 ' O ' HD12 ' A' ' 143' ' ' LEU . . . 111.59 -171.74 14.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -44.05 2.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.755 2.303 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 15.5 mmp_? -111.66 42.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASN . . . . . 0.543 ' HA ' HD13 ' A' ' 143' ' ' LEU . 0.6 OUTLIER 48.04 44.59 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -92.05 84.94 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 mt -38.72 158.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -116.36 -178.7 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.24 145.69 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.58 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -48.27 -56.21 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -52.73 -46.88 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -53.45 -47.61 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -50.86 -35.55 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.48 -43.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 61.9 mt -50.15 -33.74 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.44 -42.51 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -47.69 -49.11 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 162' ' ' PHE . 0.0 OUTLIER -51.38 -35.16 37.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.41 ' N ' ' HG2' ' A' ' 161' ' ' ARG . 64.2 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.59 -34.66 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -44.71 -42.45 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.71 -39.64 13.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.87 87.75 3.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.37 3.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.381 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -116.47 74.7 6.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -23.4 31.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -37.74 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -93.23 -36.87 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.3 -65.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.56 -57.44 8.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -52.07 -48.64 64.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -50.13 -42.3 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.6 t -54.3 -74.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.178 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.24 -24.34 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.91 71.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -93.81 -34.52 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.325 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -57.52 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 109' ' ' TRP . 11.4 mt -100.09 -62.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.01 125.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mt -38.68 -40.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -60.13 -51.76 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.33 -45.13 81.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.26 -39.48 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -38.44 -60.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -45.59 73.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -44.95 -44.86 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.63 106.21 18.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.3 t -108.07 140.0 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.438 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.9 m-85 -118.99 112.84 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.82 108.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 27.2 tttm -130.44 158.37 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.404 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 11.1 t -147.16 119.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.5 m -94.74 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.498 ' HB3' HG23 ' A' ' 115' ' ' VAL . 26.5 tp -81.4 104.99 12.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -87.59 103.12 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.5 mt -97.04 148.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.8 mmtp -116.27 -42.63 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.6 t90 -100.45 138.68 20.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.554 0.692 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.568 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.4 Cg_endo -69.76 -40.9 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.343 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.7 ptmt -113.36 169.15 9.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.4 p -77.89 107.92 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.35 167.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.513 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.5 mp0 -147.84 149.94 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 105' ' ' LEU . 6.7 m -142.3 152.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.96 150.01 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.505 ' O ' ' HB1' ' A' ' 125' ' ' ALA . . . -143.64 110.96 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.417 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 2.0 m-85 -97.06 161.88 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.979 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.43 161.72 20.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -66.86 -53.35 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -105.37 169.79 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -53.87 -51.42 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.25 -30.15 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -68.45 -50.62 51.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 117' ' ' GLY . . . -69.77 -53.1 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -49.47 -40.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -60.82 -52.37 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -52.14 -54.59 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.453 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.88 -53.43 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.41 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -59.14 -50.9 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.08 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.43 -21.42 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.34 -37.56 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 69.9 m -45.7 -36.54 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 18.8 pt20 -67.81 -35.83 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 80.4 mt -67.14 -37.81 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.3 -33.97 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -67.17 -51.79 49.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.07 96.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.3 m0 -56.92 -32.9 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.18 34.24 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 110' ' ' PRO . 36.1 mt -96.78 -20.95 17.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.84 -63.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.05 -163.04 15.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -44.03 2.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 146' ' ' ARG . 13.4 mtp-105 -107.0 38.58 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 41.12 50.55 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.15 98.56 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.68 173.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.476 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.0 m-85 -124.44 171.15 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 152' ' ' ALA . 5.1 m-20 -67.64 134.59 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.09 -53.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -45.98 -64.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.476 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.6 tttm -44.71 -49.36 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.505 ' HA ' HD12 ' A' ' 158' ' ' LEU . 8.7 m-85 -52.24 -45.86 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 156' ' ' ARG . 0.7 OUTLIER -50.24 -41.47 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.64 -37.36 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 155' ' ' TYR . 44.7 mt -57.78 -52.04 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.5 -45.62 80.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ARG . 11.7 t0 -45.47 -57.45 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' ASP . 7.5 mtp-105 -37.59 -37.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 132' ' ' ALA . 52.6 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.1 mt -47.97 -30.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -47.0 -46.77 21.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.42 -37.6 25.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 16.7 m-85 -103.64 94.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.2 Cg_endo -69.78 -45.36 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -125.06 79.09 65.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.5 Cg_endo -69.74 -40.72 5.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -51.84 -35.76 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.62 -35.41 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 tt -63.92 -59.5 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -52.84 -57.6 9.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -54.56 -46.65 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -52.22 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 72' ' ' LEU . 80.8 t -54.1 -74.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 81' ' ' LEU . 61.1 mt -51.69 -32.79 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.431 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.25 -31.07 77.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ttm-85 -86.23 -37.19 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.28 -58.48 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 77' ' ' ILE . 12.0 mt -97.06 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 161.03 125.86 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 14.5 mm -37.25 -41.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.5 m -60.31 -44.24 95.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLY . 52.1 m-70 -71.61 -45.11 63.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.29 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -41.29 -52.52 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -41.88 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -48.57 -45.68 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.416 ' CD2' HG23 ' A' ' 107' ' ' ILE . 77.2 mt -100.01 111.92 24.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.4 t -113.95 139.74 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 126' ' ' GLU . 7.4 m-85 -115.83 117.82 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.0 t -111.13 103.38 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -120.32 140.53 51.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -125.76 124.47 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.7 m -92.08 102.02 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HB2' ' HB1' ' A' ' 129' ' ' ALA . 32.1 tp -80.95 101.19 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -82.89 102.5 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.416 HG23 ' CD2' ' A' ' 90' ' ' LEU . 13.3 mt -97.44 145.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 21.0 mmtp -113.6 -42.2 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 50.5 t90 -100.39 138.26 20.15 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.618 ' HG3' HD11 ' A' ' 142' ' ' LEU . 54.3 Cg_endo -69.69 -41.13 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.329 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.51 170.53 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -78.01 103.37 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.685 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -133.17 166.67 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.8 mp0 -147.18 141.61 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 105' ' ' LEU . 17.7 m -138.85 164.15 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -108.76 151.18 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -139.17 127.14 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.424 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 8.5 m-85 -99.64 156.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.35 131.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.1 m -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' CE ' ' OD2' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -100.74 165.33 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -49.96 -62.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 124' ' ' ASP . 5.8 tp -51.73 -47.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' N ' HG23 ' A' ' 123' ' ' ILE . 24.6 m-20 -52.22 -45.86 65.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.424 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -62.72 -65.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 92' ' ' TYR . 53.9 mt-10 -46.64 -40.06 12.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -52.79 -57.37 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -50.12 -47.89 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 105' ' ' LEU . . . -50.09 -52.71 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.13 -49.69 73.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -57.65 -44.42 85.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.485 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -53.41 -31.55 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.51 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.8 m -50.5 -33.3 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -33.66 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.85 -36.69 70.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -66.72 -50.81 61.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.593 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.8 ptmm? -61.09 -37.25 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.3 -42.72 82.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.685 ' HH2' HG21 ' A' ' 113' ' ' VAL . 18.4 m0 -62.69 -30.16 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.66 28.79 3.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 110' ' ' PRO . 36.5 mt -95.95 -33.45 12.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 138' ' ' LYS . 2.6 mt -108.83 -64.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.56 -167.31 14.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.44 6.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -104.05 29.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.0 p30 42.84 52.0 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.58 109.48 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.2 mt -49.9 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -132.96 -175.03 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 150.13 39.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.72 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -53.32 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -44.58 -43.73 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.58 -48.51 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -48.65 -38.42 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.18 -40.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.454 HD13 HD23 ' A' ' 142' ' ' LEU . 68.1 mt -56.03 -32.81 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.465 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.87 -33.25 34.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.88 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -42.74 -31.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -90.15 -55.14 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -88.82 156.32 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.89 70.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -110.4 161.47 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.6 p -77.63 126.73 31.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.0 114.93 1.59 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.35 97.34 7.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -60.47 -47.29 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -72.29 149.89 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.809 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.9 122.58 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 132' ' ' ALA . 42.0 mt -65.1 -42.43 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 63' ' ' LEU . 23.6 mt -42.9 -41.51 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -41.13 -44.08 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -36.48 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -115.01 87.55 15.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -46.43 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.648 2.232 . . . . 0.0 112.413 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -114.14 74.64 2.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.7 -27.72 26.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -68.1 -35.09 77.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -93.74 -41.0 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 143' ' ' LEU . 4.5 tt -61.94 -58.55 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.493 HD23 HD13 ' A' ' 90' ' ' LEU . 10.6 tp -53.58 -58.1 8.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -50.24 -45.91 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 m -52.85 -38.38 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 137' ' ' PHE . 87.6 t -57.62 -73.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.415 HG23 HD12 ' A' ' 81' ' ' LEU . 57.9 mt -53.97 -32.29 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.51 70.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -90.31 -42.09 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -66.22 -54.35 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 109' ' ' TRP . 11.4 mt -102.61 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.08 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.523 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.1 mt -42.26 -42.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.3 p -59.76 -44.58 93.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.6 m-70 -71.42 -49.65 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 89' ' ' LYS . . . -37.44 -37.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.5 mttp -38.16 -53.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -38.71 42.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 40.4 mmtt -46.32 -44.81 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.493 HD13 HD23 ' A' ' 73' ' ' LEU . 90.6 mt -104.44 107.16 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 t -107.42 140.15 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.63 123.86 48.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -114.82 120.91 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -94.6 143.55 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -117.35 167.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -143.18 130.93 21.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.47 ' N ' ' HD2' ' A' ' 98' ' ' PRO . . . 150.78 -60.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 97' ' ' GLY . 54.1 Cg_endo -69.76 149.26 66.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -38.24 -64.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -87.73 146.3 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -76.66 143.91 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 14.4 ttpt -125.45 148.43 48.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.49 121.97 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.1 m -96.54 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -80.98 106.4 12.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.431 ' HB3' ' NZ ' ' A' ' 108' ' ' LYS . 20.2 m-70 -89.79 103.02 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.451 HG23 HD23 ' A' ' 90' ' ' LEU . 12.1 mt -95.11 148.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 31.8 mmtm -115.46 -41.84 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.62 ' HH2' HD22 ' A' ' 142' ' ' LEU . 50.0 t90 -100.42 138.51 20.2 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.74 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.338 -0.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.2 ptmt -113.13 169.85 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -77.6 106.25 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -138.02 168.1 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.535 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.0 mp0 -147.4 153.34 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 33.3 m -145.03 159.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -106.43 146.01 31.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.04 118.63 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.413 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 6.0 m-85 -99.16 158.71 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.05 161.61 20.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.4 m -70.2 -55.95 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -101.36 173.28 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -51.09 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 124' ' ' ASP . 6.1 tp -60.61 -43.88 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 123' ' ' ILE . 0.8 OUTLIER -53.87 -49.59 68.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.93 -54.37 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -49.26 -44.56 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -52.48 -57.81 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' ALA . 11.4 mm100 -47.91 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.35 -63.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -51.08 -50.62 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.2 -35.65 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -63.4 -22.33 66.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.415 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.59 -35.11 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 88.0 m -46.38 -40.38 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' A' ' 62' ' ' LEU . 13.9 pt20 -60.52 -38.24 83.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.96 -42.48 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 76' ' ' VAL . 34.2 m-85 -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -67.0 -52.66 39.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.94 -37.5 94.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.41 ' HH2' HG21 ' A' ' 113' ' ' VAL . 26.8 m0 -61.26 -41.69 97.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.85 27.09 2.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.62 HD22 ' HH2' ' A' ' 109' ' ' TRP . 30.6 mt -99.63 -24.54 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.56 ' CD2' HD21 ' A' ' 72' ' ' LEU . 67.9 mt -104.95 -63.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.25 -173.48 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.6 6.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.242 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.477 ' CB ' ' OE2' ' A' ' 148' ' ' GLU . 21.5 mmm180 -111.69 31.39 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.4 44.67 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.477 ' OE2' ' CB ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 67.4 mt -48.64 175.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 25.5 m-85 -125.99 -176.26 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.19 145.64 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -42.91 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -39.29 -54.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 31.8 tttm -53.83 -48.41 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.463 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 13.7 m-85 -53.82 -41.84 67.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -54.66 -43.32 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.27 -40.57 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.566 HD13 HD23 ' A' ' 142' ' ' LEU . 66.7 mt -56.54 -33.37 66.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.495 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.33 -27.58 29.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.57 -51.47 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -55.97 -23.74 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -86.52 -40.88 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -170.58 155.78 25.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 74.4 m -125.63 96.13 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -58.22 -157.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.7 19.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 48.8 m -92.55 136.58 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 50.6 p -86.23 -25.06 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -114.72 93.06 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.9 m -118.7 158.46 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.01 164.37 10.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.4 t -151.24 160.07 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.4 m -129.3 100.9 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.67 -58.37 1.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 167.58 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.5 m -128.7 133.98 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.55 -176.5 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.14 102.51 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -45.21 -38.29 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 mt -45.95 -39.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -41.4 -42.65 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.81 -35.27 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 17.7 m-85 -112.57 94.11 26.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.75 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -43.3 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.33 78.76 44.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.73 -32.99 17.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -63.61 -33.23 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.54 -44.83 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 tt -55.92 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.503 HD21 HD21 ' A' ' 105' ' ' LEU . 14.2 tp -48.3 -57.47 5.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.87 -44.76 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.3 m -55.17 -42.05 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' LEU . 20.8 t -53.14 -71.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.507 ' CD1' HD21 ' A' ' 90' ' ' LEU . 61.5 mt -55.34 -35.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.98 -26.52 67.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.428 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -91.56 -32.19 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -77.06 -57.32 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.9 mt -99.09 -68.35 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.2 124.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mm -39.05 -32.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -70.12 -54.61 12.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -62.5 -40.52 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -45.21 -39.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 82.2 mttt -36.71 -57.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -44.46 63.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -46.39 -35.73 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 77' ' ' ILE . 31.4 mt -109.15 110.15 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 105' ' ' LEU . 5.4 t -114.43 141.05 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -117.99 115.59 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 108.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -79.49 146.3 32.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.4 p -132.97 154.36 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.74 138.22 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.45 -70.7 0.2 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 175.09 8.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.363 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -60.56 -57.72 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.9 144.38 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.0 149.76 49.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -132.53 132.05 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -128.62 119.47 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.434 HG23 ' OE1' ' A' ' 116' ' ' GLU . 92.8 m -92.34 109.03 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.503 HD21 HD21 ' A' ' 73' ' ' LEU . 27.5 tp -81.66 108.81 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.469 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 21.6 m-70 -90.57 104.62 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.1 mt -98.9 151.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 45.5 mmtt -118.15 -42.96 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.553 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 35.7 t90 -100.37 138.85 20.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.527 0.679 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.724 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.6 Cg_endo -69.77 -40.73 1.04 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.317 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ptmt -113.7 169.05 9.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -78.41 108.75 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.536 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -142.11 165.9 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -146.4 147.23 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 129' ' ' ALA . 9.7 m -139.11 156.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.434 ' OE1' HG23 ' A' ' 104' ' ' THR . 2.7 mm-40 -99.01 145.3 27.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.66 115.99 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.66 158.95 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.399 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.55 170.4 33.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -76.95 -52.68 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -103.53 170.14 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 123' ' ' ILE . 15.3 ptpt -53.16 -45.02 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' LYS . 6.1 tp -64.51 -37.05 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.96 -44.38 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.66 93.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -63.56 -54.13 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -39.28 -49.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -57.02 -53.54 56.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.473 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -43.34 -54.94 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -59.11 -47.3 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.53 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.24 33.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 98.7 m -46.62 -37.77 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 5.8 pt20 -69.96 -33.21 71.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.3 mt -70.29 -42.37 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -65.27 -48.42 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.498 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.2 ptmm? -65.77 -43.61 88.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.1 -34.8 85.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.536 ' HH2' HG21 ' A' ' 113' ' ' VAL . 27.3 m0 -73.81 -17.66 61.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.51 28.31 8.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.724 HD11 ' HG3' ' A' ' 110' ' ' PRO . 29.0 mt -91.13 -30.99 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 138' ' ' LYS . 2.2 mt -114.97 -66.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.13 -156.09 22.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 10.9 ptt180 -117.06 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 146' ' ' ARG . 4.4 p-10 45.59 52.12 9.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.415 ' HG3' ' CG ' ' A' ' 146' ' ' ARG . 8.1 mt-10 -88.94 84.58 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 51.0 mt -44.75 168.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.435 ' CB ' ' HD3' ' A' ' 154' ' ' LYS . 26.2 m-85 -128.23 175.96 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.29 140.05 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.26 10.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.62 -57.91 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 12.9 tttp -52.84 -43.58 66.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.451 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 6.6 m-85 -55.81 -43.55 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.49 -42.07 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.87 -42.28 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.13 -53.71 49.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.52 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.37 -43.6 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 162' ' ' PHE . 7.1 t70 -49.51 -57.87 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -38.63 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 160' ' ' ASP . 64.8 m-85 -93.04 -39.99 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . 133.01 84.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.1 m -86.98 38.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.888 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 60.37 174.46 1.03 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.24 6.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.7 m -86.04 -56.06 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 p 44.9 42.58 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 p -87.65 48.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -79.78 104.47 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.86 115.53 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -160.42 149.93 17.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t 58.85 41.36 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.96 76.6 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.84 112.94 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 p -148.09 136.29 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -55.11 -43.81 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -112.76 130.65 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.62 -45.62 91.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -42.75 -35.47 1.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -43.91 -46.93 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.98 -36.93 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 22.8 m-85 -105.9 94.73 9.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.1 Cg_endo -69.75 -43.56 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -125.68 78.52 68.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -39.7 6.11 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 39.5 tttt -54.88 -32.65 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -96.56 -43.78 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.53 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.7 tt -54.3 -58.96 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 tp -53.47 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 70' ' ' LYS . 13.5 m-20 -41.54 -55.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -45.17 -53.33 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 137' ' ' PHE . 56.6 t -38.97 -72.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.73 -35.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.04 -21.7 56.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -97.16 -43.1 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.46 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 109' ' ' TRP . 13.5 mt -97.75 -67.17 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.53 124.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.413 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 62.8 mt -37.07 -47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.19 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -53.62 -55.04 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.6 m-70 -62.71 -49.44 75.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.61 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' HIS . 17.4 ttpp -36.35 -61.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.51 -44.53 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -39.12 -34.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.88 101.63 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.96 138.33 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.5 m-85 -116.11 117.22 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.9 t -108.23 110.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -86.62 151.4 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -130.64 142.15 50.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -117.43 150.5 38.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.93 -73.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.4 66.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -46.53 -51.4 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -85.02 153.06 22.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -95.5 145.8 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HE3' ' CD ' ' A' ' 116' ' ' GLU . 29.3 tttt -125.62 132.31 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.0 t -123.53 113.93 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 47.2 m -92.51 105.52 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 92' ' ' TYR . 30.0 tp -81.05 104.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -87.13 104.58 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.3 mt -99.9 148.51 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 36.0 mmtt -115.72 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 55.2 t90 -100.51 138.44 20.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.77 -41.21 0.94 Allowed 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 -0.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.85 170.5 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 m -79.23 107.88 12.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 114' ' ' GLU . 4.1 t -141.44 166.32 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.518 ' N ' HG12 ' A' ' 113' ' ' VAL . 2.8 mp0 -145.83 144.37 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 129' ' ' ALA . 18.7 m -134.88 152.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' CD ' ' HE3' ' A' ' 102' ' ' LYS . 5.8 mm-40 -99.98 143.51 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.411 ' HA3' ' HB2' ' A' ' 129' ' ' ALA . . . -130.94 109.74 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 6.3 m-85 -94.63 160.03 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.69 144.99 4.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 m -54.03 -50.57 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -175.18 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -79.34 -19.87 49.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -82.24 -30.52 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -31.89 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.28 -45.6 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -63.32 -46.0 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -54.49 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -42.13 -54.35 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.546 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -47.18 -54.18 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -57.3 -46.12 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.29 -46.84 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.46 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -52.8 -23.56 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.096 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.52 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.05 -43.2 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -61.48 -31.07 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.37 -37.01 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.717 ' CD2' HG11 ' A' ' 76' ' ' VAL . 11.1 m-85 -74.56 -27.71 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.12 -51.04 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.96 -41.69 95.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -56.81 -22.5 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.34 36.5 6.22 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' ' 110' ' ' PRO . 44.6 mt -100.04 -25.64 14.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -116.96 -63.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.56 -168.74 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -35.74 12.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -102.74 28.16 6.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 42.06 49.77 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.21 126.12 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.92 176.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.422 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -130.53 178.19 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.3 OUTLIER -71.49 128.93 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.94 -42.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.12 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 13.5 tttp -46.21 -43.74 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.8 -51.2 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -47.34 -36.56 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.88 -42.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 142' ' ' LEU . 38.0 mt -54.0 -32.24 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.04 -29.53 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -61.82 -48.31 81.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -52.09 -28.5 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -82.03 -37.01 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 151.61 160.91 9.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.7 t -82.06 -44.61 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 146.97 -171.7 27.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.49 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 5.4 t -89.75 124.55 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.4 t -133.45 125.01 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -133.52 96.94 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t 58.92 41.82 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.2 61.41 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.0 m -139.53 127.57 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -107.79 175.66 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.51 49.9 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.99 124.77 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -116.41 105.67 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -160.85 165.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.29 120.31 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 132' ' ' ALA . 25.1 mt -66.02 -34.3 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.8 mt -47.48 -39.03 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -41.43 -44.86 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.16 -36.14 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 29.7 m-85 -107.74 92.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.0 Cg_endo -69.74 -39.82 6.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -125.28 74.91 68.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.5 Cg_endo -69.8 -33.51 16.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.98 -39.94 91.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -90.29 -45.33 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -52.98 -50.89 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.16 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -49.12 -51.76 30.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -47.1 -37.92 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 72' ' ' LEU . 59.4 t -56.55 -74.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 81' ' ' LEU . 54.1 mt -55.24 -32.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.13 -22.5 70.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -96.31 -36.77 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.57 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 109' ' ' TRP . 10.0 mt -95.75 -66.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.18 124.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mm -38.59 -37.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -63.06 -49.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -66.49 -47.61 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.29 -39.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.7 tttp -37.31 -60.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -42.77 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -44.0 -40.63 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.11 111.65 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.92 142.22 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.408 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.7 m-85 -118.39 121.34 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.41 109.95 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.89 155.49 20.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 t -136.71 156.25 48.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -127.01 149.99 49.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 148.96 -76.89 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 158.89 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -43.91 -54.58 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -84.18 160.3 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.37 147.3 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -122.39 135.21 54.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.84 117.82 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.3 m -95.37 108.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.468 ' HB3' HG23 ' A' ' 115' ' ' VAL . 23.6 tp -82.95 107.49 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -90.1 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.1 mt -99.79 149.43 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 20.2 mmtp -116.86 -41.95 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.553 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 45.4 t90 -100.39 138.62 20.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -40.63 1.06 Allowed 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.359 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.9 169.62 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.4 p -77.53 107.6 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.509 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.18 167.21 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.509 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.9 mp0 -147.86 150.84 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 105' ' ' LEU . 16.9 m -140.91 152.64 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -103.53 140.99 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.98 129.68 6.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.35 157.22 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.92 178.12 40.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 t -91.4 -47.43 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 165.77 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.22 -27.94 62.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.412 ' CG1' ' HE ' ' A' ' 127' ' ' ARG . 7.3 tp -83.01 -31.04 8.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.07 -50.9 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.26 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.34 -50.51 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.412 ' HE ' ' CG1' ' A' ' 123' ' ' ILE . 40.3 mtt-85 -53.17 -49.56 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -51.73 -61.2 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.64 -61.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.47 -54.3 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.07 -44.21 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.03 -24.19 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.49 -40.08 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 91.4 m -42.68 -41.1 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.85 -38.57 79.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.19 -45.92 82.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 142' ' ' LEU . 21.5 m-85 -63.05 -29.65 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -72.69 -47.37 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.32 -45.55 93.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -56.3 -37.28 69.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.97 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.53 HD11 ' HG3' ' A' ' 110' ' ' PRO . 37.1 mt -95.97 -29.42 14.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.91 -61.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.74 -164.37 14.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -101.7 33.26 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m120 43.73 51.68 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.64 166.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.46 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 47.8 m-85 -115.83 178.66 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -70.96 132.58 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -36.22 -45.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -51.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 16.1 tttp -46.16 -44.5 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -53.05 -51.16 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.12 -42.7 29.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 76.3 t -74.48 -45.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.517 HD13 HD23 ' A' ' 142' ' ' LEU . 41.6 mt -48.94 -50.16 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.499 ' HB2' ' CE2' ' A' ' 109' ' ' TRP . . . -61.11 -58.98 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -43.37 -48.14 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -45.69 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -72.52 -39.29 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 159.51 -133.48 3.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 34.1 p -38.4 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 101.2 81.96 1.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -178.08 2.18 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 42.1 p -78.55 -36.73 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 39.9 t -148.74 110.98 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.458 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' SER . 13.3 t -77.47 115.49 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' SER . 75.7 p 34.9 42.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 58.1 2.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -88.91 107.42 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -143.42 164.18 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.99 83.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.7 176.43 7.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 p -60.51 129.31 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -170.53 160.64 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.15 110.63 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.1 mt -67.31 -42.66 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -45.39 -38.78 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -42.69 -41.43 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.12 -39.34 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 17.1 m-85 -105.24 95.81 10.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.493 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.7 Cg_endo -69.78 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.5 pm0 -122.9 79.92 50.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.465 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.73 -38.35 7.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -59.36 -36.89 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -88.73 -42.07 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.5 tt -58.99 -69.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 105' ' ' LEU . 11.8 tp -41.86 -56.97 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -51.38 -53.91 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.26 -43.13 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG11 ' HD2' ' A' ' 137' ' ' PHE . 58.7 t -51.93 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CD1' HD21 ' A' ' 90' ' ' LEU . 48.1 mt -54.15 -34.87 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.432 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.24 -26.85 64.39 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -92.68 -42.98 9.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.27 -59.79 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.538 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -96.93 -65.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.35 122.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 6.9 mm -37.13 -38.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -60.63 -50.62 72.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.93 -35.97 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -29.57 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -38.47 -61.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.32 -45.97 52.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -37.04 -40.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 77' ' ' ILE . 60.6 mt -115.09 108.33 16.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.0 t -110.84 144.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.7 m-85 -119.19 119.71 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.4 t -110.85 111.77 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -86.18 150.55 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 102' ' ' LYS . 4.7 t -128.3 145.56 51.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -127.35 123.3 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.51 -68.35 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 169.01 19.92 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -49.52 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -88.43 156.42 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -89.23 156.39 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 95' ' ' THR . 34.1 tttm -136.66 146.86 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.2 t -133.09 120.61 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.2 m -94.93 108.62 20.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 73' ' ' LEU . 24.0 tp -83.1 105.1 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -89.29 103.58 16.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 90' ' ' LEU . 13.7 mt -97.64 149.21 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 35.8 mmtt -116.59 -42.13 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 51.5 t90 -100.46 138.54 20.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.9 Cg_endo -69.73 -40.97 0.98 Allowed 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.37 -0.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.3 ptmt -113.31 169.83 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 m -78.89 105.93 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 114' ' ' GLU . 2.8 t -139.56 164.31 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' N ' HG12 ' A' ' 113' ' ' VAL . 5.2 mp0 -143.77 151.88 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 129' ' ' ALA . 28.4 m -141.86 153.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 134.91 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.59 115.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.78 161.14 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.9 162.07 20.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 m -72.1 -54.39 9.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -101.02 163.43 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -43.94 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.9 tp -63.71 -35.55 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.11 -49.02 48.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.42 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.36 -58.04 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 68' ' ' GLN . 26.9 mtp85 -39.27 -55.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.48 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -39.06 -59.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -50.95 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.15 -46.26 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -51.28 -26.42 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.84 -32.12 15.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 86.2 m -50.0 -33.42 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -68.49 -38.03 80.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.18 -46.18 74.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.472 ' HD2' HG11 ' A' ' 76' ' ' VAL . 9.5 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.71 82.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -62.58 -31.23 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.98 33.16 3.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.818 HD23 HD13 ' A' ' 158' ' ' LEU . 35.3 mt -98.29 -13.15 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.436 HD21 ' CG2' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -126.9 -69.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 126.7 -161.73 20.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -99.66 31.36 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.404 ' HB3' HD11 ' A' ' 72' ' ' LEU . 27.4 m-20 40.92 54.78 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.42 123.69 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.39 148.54 45.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.518 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 30.2 m-85 -100.81 -179.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.7 159.42 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.97 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.94 -56.59 9.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.518 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -51.62 -47.72 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -50.76 -47.75 59.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -50.78 -44.22 58.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.26 -38.75 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.818 HD13 HD23 ' A' ' 142' ' ' LEU . 43.1 mt -59.42 -33.64 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -82.55 -28.83 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.09 -56.33 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -43.98 -27.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -91.22 -33.83 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 102.42 113.65 3.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 11.0 m -128.0 -49.14 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 169.07 -155.35 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 124.45 11.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 66.3 m -87.04 159.04 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 98.4 p -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -123.19 -53.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -153.06 130.42 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.54 47.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -72.05 -46.09 58.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 t -74.25 114.58 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.69 -67.19 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.85 179.05 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.3 p -129.11 -31.27 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -79.9 -22.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -97.92 82.67 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 132' ' ' ALA . 43.4 mt -58.2 -43.95 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.72 -39.57 3.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -39.82 -42.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.7 -41.92 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 15.8 m-85 -103.1 95.86 7.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.4 Cg_endo -69.77 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -127.82 80.45 72.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.1 Cg_endo -69.66 -35.81 12.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.23 . . . . 0.0 112.401 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.61 -43.43 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -84.48 -45.81 12.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.4 tt -55.42 -65.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 90' ' ' LEU . 13.4 tp -44.12 -58.2 2.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -51.9 -50.26 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -48.57 -38.08 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG2' HD21 ' A' ' 143' ' ' LEU . 48.7 t -56.65 -72.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.538 ' CG2' HD12 ' A' ' 81' ' ' LEU . 48.4 mt -56.2 -35.2 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.468 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -59.64 -26.96 63.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -89.46 -37.89 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.56 -59.89 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 77' ' ' ILE . 11.2 mt -95.52 -61.6 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.68 131.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.468 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 21.6 mt -43.63 -37.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.5 m -61.74 -54.11 46.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -63.43 -46.47 86.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -40.42 -41.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.8 ttmm -36.22 -58.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -72.52 -51.17 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ASP . 47.4 mmtt -34.99 -40.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.528 HD13 HD23 ' A' ' 73' ' ' LEU . 58.6 mt -105.83 114.3 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 t -115.46 140.39 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -115.08 121.77 44.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.13 108.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -80.0 156.22 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 t -131.79 156.72 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -138.06 152.72 49.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.59 -67.06 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -176.93 1.67 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -50.17 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -88.13 151.98 22.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -95.22 136.61 35.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 6.7 ttpm? -120.98 155.26 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.7 t -139.81 119.86 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.3 m -93.14 106.16 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 23.7 tp -80.99 104.48 11.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -84.92 103.26 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 133' ' ' ALA . 11.2 mt -97.66 145.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.1 mmtp -112.97 -42.32 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.9 t90 -100.37 138.41 20.19 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.2 Cg_endo -69.73 -40.91 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.366 -0.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.93 170.5 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -77.99 104.15 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.732 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -135.11 169.06 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.564 ' H ' HG12 ' A' ' 113' ' ' VAL . 2.9 mp0 -148.11 145.65 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.482 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 17.6 m -138.7 154.5 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -100.88 145.87 28.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.43 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -133.94 116.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 2.9 m-85 -95.8 163.66 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.11 140.51 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 t -53.68 -39.95 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -115.24 -179.19 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -66.22 -57.67 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 tp -53.66 -25.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -41.3 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.05 92.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.11 -49.65 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -46.99 -51.07 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.4 -51.42 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.464 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.84 -54.91 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -56.42 -50.41 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -45.86 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -52.88 -26.2 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.528 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -89.71 -36.1 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.542 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 93.2 m -47.73 -35.5 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -31.88 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 71.3 mt -71.48 -40.38 70.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.408 ' CD2' HD13 ' A' ' 142' ' ' LEU . 15.0 m-85 -65.72 -49.97 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.42 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.7 ptmm? -62.37 -42.29 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.26 -35.96 92.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.732 ' HH2' HG21 ' A' ' 113' ' ' VAL . 20.4 m0 -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.03 29.19 4.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 150' ' ' PHE . 34.3 mt -94.67 -37.5 11.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 76' ' ' VAL . 4.5 mt -108.05 -65.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.4 -162.45 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -43.08 2.89 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -97.66 29.65 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.5 p30 41.18 47.48 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -94.15 133.99 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.64 169.14 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.4 m-85 -122.65 -176.04 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.82 130.97 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.07 -48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.12 -54.58 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.452 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 20.9 tttt -54.7 -40.4 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -58.95 -48.96 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -50.17 -41.18 48.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.12 -43.38 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' A' ' 154' ' ' LYS . 53.8 mt -54.38 -47.24 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.504 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -59.56 -41.48 90.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 163' ' ' GLY . 18.8 t70 -48.5 -53.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.7 mtp85 -42.16 -30.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.441 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 64.6 m-85 -80.27 -35.6 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -97.35 60.09 1.09 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 63.4 p -105.08 171.15 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -51.68 146.41 12.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 151.06 68.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.633 2.222 . . . . 0.0 112.32 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 168' ' ' SER . 92.4 p -110.48 -23.19 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 167' ' ' SER . 13.9 m 35.16 49.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.7 p -108.55 108.45 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.5 p -148.41 154.95 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.8 -89.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.6 p -171.96 157.28 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -70.25 169.19 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.99 139.72 14.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.97 126.57 48.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.072 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -89.1 40.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -131.91 136.56 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.8 t0 46.28 47.94 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 132' ' ' ALA . 36.5 mt -43.28 -28.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.85 -41.89 62.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.84 -43.42 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -85.98 -37.93 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 17.6 m-85 -109.97 99.25 38.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' O ' ' NH2' ' A' ' 127' ' ' ARG . 54.3 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -123.14 74.46 49.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.547 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.4 Cg_endo -69.74 -33.7 16.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -38.72 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -91.32 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.8 tt -43.52 -52.78 5.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD21 HD21 ' A' ' 105' ' ' LEU . 13.9 tp -51.39 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.601 ' ND2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -43.94 -52.17 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.601 ' N ' ' ND2' ' A' ' 74' ' ' ASN . 8.3 m -46.58 -34.97 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 72' ' ' LEU . 45.5 t -61.12 -72.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.502 HG22 ' HB2' ' A' ' 86' ' ' ALA . 63.5 mt -55.06 -34.26 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.06 -37.45 91.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -77.66 -41.7 37.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.95 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 89' ' ' LYS . 11.0 mt -104.35 -69.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.39 126.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.807 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.3 mp -41.2 -32.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 m -66.22 -52.89 43.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.9 m-70 -65.79 -58.16 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.502 ' HB2' HG22 ' A' ' 77' ' ' ILE . . . -34.81 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 38.2 mtpt -36.16 -48.43 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -48.32 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.655 ' HD2' HD12 ' A' ' 81' ' ' LEU . 14.9 mttm -42.63 -48.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 77' ' ' ILE . 38.2 mt -90.03 108.05 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.9 t -113.21 142.72 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.474 ' CE1' HD13 ' A' ' 105' ' ' LEU . 5.9 m-85 -118.76 112.64 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.54 113.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -94.75 138.49 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -109.36 160.77 15.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.14 120.67 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.61 -64.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.56 24.11 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -52.1 -62.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -84.55 148.48 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -90.01 148.51 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.459 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.8 ttpm? -128.82 150.74 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.55 115.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.7 m -92.72 106.57 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.46 107.53 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -88.99 106.58 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.14 146.07 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.0 mmtp -113.09 -43.28 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 61.3 t90 -100.57 138.5 20.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.561 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.9 Cg_endo -69.77 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.347 -0.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -112.86 169.29 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.1 p -80.04 103.49 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -135.75 170.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.606 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.5 mp0 -148.1 150.72 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 129' ' ' ALA . 26.8 m -140.15 151.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -100.05 144.6 28.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HB1' ' A' ' 125' ' ' ALA . . . -131.7 119.83 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 6.5 m-85 -98.03 153.11 18.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.85 158.8 14.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 t -69.52 -46.94 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.994 0.426 . . . . 0.0 110.855 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.53 169.65 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -56.33 -41.93 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.65 -30.19 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.24 -47.42 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 117' ' ' GLY . . . -74.44 -40.8 61.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.01 -45.52 82.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 67' ' ' PRO . 44.3 mtp180 -57.7 -52.13 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -51.96 -54.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.33 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.95 -54.12 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.45 -43.91 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.506 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.87 -23.08 28.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.28 -38.62 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.0 m -45.35 -41.96 9.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.487 ' OE1' HD21 ' A' ' 62' ' ' LEU . 8.8 pt20 -60.24 -36.81 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 79.9 mt -66.18 -43.25 87.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.44 ' CD2' HG11 ' A' ' 76' ' ' VAL . 22.8 m-85 -65.72 -34.7 78.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -69.01 -48.02 64.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.0 97.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -59.48 -24.6 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.0 33.03 5.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.561 HD11 ' HG3' ' A' ' 110' ' ' PRO . 29.8 mt -96.51 -17.18 20.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 149' ' ' LEU . 8.6 mt -118.71 -67.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.28 -162.87 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.28 34.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 39.96 53.77 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.25 121.03 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 143' ' ' LEU . 40.0 mt -57.98 151.45 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.546 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 17.0 m-85 -103.4 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.63 159.34 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.74 80.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.32 -53.75 40.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -54.69 -44.85 73.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -56.24 -47.63 78.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -51.1 -33.08 24.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.49 -38.66 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 142' ' ' LEU . 65.6 mt -58.24 -28.67 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -86.02 -32.11 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 163' ' ' GLY . 23.6 t70 -58.97 -53.01 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -41.31 -32.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 164' ' ' SER . 94.9 m-85 -78.81 -36.57 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -51.99 90.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 162' ' ' PHE . 16.5 m -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 165.09 176.65 36.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.29 66.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 22.4 t -136.52 135.69 38.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 30.7 t -119.14 121.75 40.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 t 58.71 42.22 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.4 p -79.68 95.36 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.34 143.53 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -121.55 87.25 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.879 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 m -86.38 130.86 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.51 48.67 6.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.75 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 p -78.41 116.07 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.07 -53.59 53.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -103.48 143.76 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt -79.7 -46.48 17.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.39 -41.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -86.96 -37.66 17.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 13.1 m-85 -105.3 94.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.1 Cg_endo -69.67 -43.82 2.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.375 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -123.3 76.69 52.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.533 0.682 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.27 29.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -65.33 -43.93 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 m120 -87.09 -33.24 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -61.29 -68.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 tp -46.29 -58.2 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -55.06 -42.4 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.5 m -57.68 -45.57 85.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 72' ' ' LEU . 43.2 t -50.22 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.713 ' CG2' HD12 ' A' ' 81' ' ' LEU . 63.4 mt -53.81 -36.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.432 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -27.41 59.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.71 -44.21 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.77 64.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.713 HD12 ' CG2' ' A' ' 77' ' ' ILE . 8.0 mt -105.58 -66.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 84' ' ' SER . . . 158.06 124.62 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 15.6 mm -33.83 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' GLY . 3.8 m -62.39 -54.33 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' LYS . 94.7 m-70 -62.51 -58.96 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -36.3 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' HIS . 28.4 ttmt -46.03 -51.04 14.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' LEU . 21.0 t0 -83.95 -51.29 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 6.2 mtpp -39.59 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' ASP . 88.6 mt -119.71 99.7 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.92 146.56 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 4.0 m-85 -118.51 119.12 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -103.16 111.03 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.53 138.35 32.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 p -129.82 134.02 47.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -109.04 153.09 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 162.71 -90.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -179.03 2.61 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.92 -45.66 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -82.95 143.16 30.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -86.37 151.08 23.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HE2' ' CD ' ' A' ' 116' ' ' GLU . 22.0 tttm -131.16 128.75 40.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.0 t -125.64 121.38 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -96.69 105.29 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.3 tp -80.98 102.61 10.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -83.2 103.01 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 133' ' ' ALA . 13.0 mt -96.44 148.26 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.0 mmtp -116.39 -41.07 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CD1' HD11 ' A' ' 81' ' ' LEU . 54.6 t90 -100.39 138.08 20.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.533 0.683 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -41.19 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.346 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.8 ptmt -113.11 171.39 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 m -77.2 101.35 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.634 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -132.17 165.7 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.473 ' H ' HG12 ' A' ' 113' ' ' VAL . 2.7 mp0 -147.2 142.8 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 129' ' ' ALA . 25.9 m -134.68 161.95 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' CD ' ' HE2' ' A' ' 102' ' ' LYS . 60.3 mm-40 -107.02 151.26 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.92 118.7 1.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 11.9 m-85 -105.21 162.01 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.98 170.96 34.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 m -67.84 -55.11 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -104.94 -178.04 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -63.38 -45.74 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -61.48 -39.38 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -62.83 -47.71 82.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.407 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 127' ' ' ARG . 24.1 mt-10 -60.56 -61.99 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' GLU . 23.5 mtp85 -35.64 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.72 -47.93 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.573 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -50.72 -50.87 54.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.64 97.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.71 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.27 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -90.26 -37.11 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.6 m -45.21 -38.85 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -35.67 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.47 -37.42 82.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.33 -53.18 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.626 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.1 ptmm? -61.14 -37.49 83.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.84 -43.77 90.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.634 ' HH2' HG21 ' A' ' 113' ' ' VAL . 19.1 m0 -62.62 -26.96 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.41 33.68 2.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 158' ' ' LEU . 38.6 mt -96.2 -33.96 11.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.3 OUTLIER -113.27 -63.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.13 -160.88 18.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -95.52 29.55 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 40.61 45.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.32 124.69 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.427 ' CD2' HG22 ' A' ' 76' ' ' VAL . 65.7 mt -65.54 173.54 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.457 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 25.3 m-85 -124.74 177.6 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -71.5 138.48 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -39.05 -50.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.401 ' HA ' ' NH2' ' A' ' 156' ' ' ARG . . . -49.32 -60.79 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.457 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 24.7 tttm -49.2 -42.03 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.57 -46.8 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 153' ' ' ALA . 29.3 mtm105 -53.23 -39.55 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.59 -36.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 142' ' ' LEU . 46.1 mt -60.31 -50.56 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.433 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -57.03 -34.25 68.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.98 -46.56 71.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -28.51 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.408 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 42.4 m-85 -86.2 -39.16 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 175.13 167.06 33.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.2 m -89.92 133.4 34.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -155.74 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 145.44 56.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 37.0 m -99.87 -175.64 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 85.6 p -116.1 150.9 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 m -91.62 96.07 10.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -78.72 -48.8 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.5 71.1 0.31 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.45 ' CB ' ' HA2' ' A' ' 139' ' ' GLY . 43.7 m -78.29 -52.79 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 p -112.23 156.94 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.47 -73.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.65 148.95 44.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -103.42 -43.88 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 ttm105 -87.46 157.26 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 50.36 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 132' ' ' ALA . 31.0 mt -66.01 -41.94 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 mt -43.5 -40.68 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -40.75 -40.46 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -86.26 -39.18 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 24.2 m-85 -105.56 106.21 55.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.9 Cg_endo -69.81 -47.83 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.8 pm0 -125.7 83.07 62.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -51.12 -30.51 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.2 -49.24 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.622 HD21 HD22 ' A' ' 143' ' ' LEU . 5.9 tt -54.64 -54.61 39.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD23 HD13 ' A' ' 90' ' ' LEU . 11.2 tp -53.83 -57.16 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.88 -49.66 62.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.5 m -49.65 -40.87 41.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG11 ' HD2' ' A' ' 137' ' ' PHE . 88.2 t -53.78 -69.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CD1' HD21 ' A' ' 90' ' ' LEU . 37.2 mt -58.86 -33.01 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.6 -21.76 60.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -94.6 -44.29 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -65.77 -58.93 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 77' ' ' ILE . 12.1 mt -95.41 -65.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.94 129.16 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.6 mm -39.84 -38.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.0 m -60.81 -56.65 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -61.53 -44.67 96.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.63 -42.47 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -38.63 -53.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -45.6 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -43.83 -47.73 8.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 77' ' ' ILE . 37.0 mt -98.92 111.35 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -113.21 141.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.578 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -114.74 115.85 27.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.7 t -100.64 107.85 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -85.2 119.72 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 p -108.95 150.92 27.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -122.89 159.41 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 153.26 -86.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -42.58 -32.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.51 156.47 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -98.73 149.14 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -133.76 131.1 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.74 118.57 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.0 m -94.78 108.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.16 106.81 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.543 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.0 m-70 -88.7 104.49 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.53 HG23 ' CD2' ' A' ' 90' ' ' LEU . 15.6 mt -98.45 148.57 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.6 mmtp -115.74 -41.77 3.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.3 t90 -100.3 138.23 20.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.1 Cg_endo -69.78 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.333 -0.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.7 169.63 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.4 p -78.03 108.81 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -142.56 167.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.2 mp0 -147.93 149.84 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 129' ' ' ALA . 18.2 m -138.07 157.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.64 141.43 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -128.4 108.87 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.34 158.07 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.993 0.425 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.79 154.19 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 t -67.97 -44.43 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -103.66 159.84 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -57.71 -28.62 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.6 tp -78.27 -28.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.55 -39.98 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.66 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.04 -50.86 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -49.65 -51.4 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -53.31 -58.12 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.574 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -38.49 -58.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -54.76 -55.55 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.57 -41.95 43.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -56.13 -30.41 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.509 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -86.43 -29.31 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.4 m -51.61 -45.03 63.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -58.03 -30.94 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.14 -42.35 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.611 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.0 m-85 -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.34 -53.51 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.45 ' HA2' ' CB ' ' A' ' 55' ' ' SER . . . -64.11 -37.18 94.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -60.73 -30.8 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.91 4.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 110' ' ' PRO . 41.1 mt -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.622 HD22 HD21 ' A' ' 72' ' ' LEU . 9.9 mt -104.01 -63.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.55 -166.57 12.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.15 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -102.89 33.38 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.6 m120 40.51 52.22 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -99.96 98.02 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 81.2 mt -44.02 159.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.09 -175.47 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.63 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.629 ' HB1' ' NH1' ' A' ' 156' ' ' ARG . . . -61.92 -30.32 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -70.48 -55.75 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -53.25 -33.35 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.447 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 4.1 m-85 -62.42 -53.81 49.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.629 ' NH1' ' HB1' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -50.71 -41.11 55.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.94 -39.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.402 HD13 HD23 ' A' ' 142' ' ' LEU . 33.9 mt -56.99 -53.08 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.484 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -51.17 -42.27 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -48.46 -48.04 37.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -49.81 -27.99 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -89.77 -40.39 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -150.59 129.92 3.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 5.2 m -52.8 173.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 173.32 151.32 8.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 87.07 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 13.3 m 46.24 41.83 9.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 53.7 p -169.69 153.9 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 m -109.65 86.76 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -169.09 111.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.7 157.89 16.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.1 p -149.98 135.73 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.7 p -141.86 128.32 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.94 -144.64 10.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.59 167.93 6.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -99.52 147.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -158.71 154.62 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -38.48 120.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 132' ' ' ALA . 24.1 mt -66.61 -41.03 89.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.7 -35.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -43.9 -44.81 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -84.17 -38.15 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 25.3 m-85 -106.28 99.62 24.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.3 Cg_endo -69.84 -44.4 2.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -123.81 78.96 56.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.91 30.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -69.53 -39.98 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -89.23 -40.13 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.749 HD21 ' ND2' ' A' ' 147' ' ' ASN . 5.5 tt -58.29 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD23 HD13 ' A' ' 90' ' ' LEU . 13.2 tp -56.74 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -50.49 -41.36 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -28.73 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.64 ' CG2' HD21 ' A' ' 143' ' ' LEU . 92.6 t -66.06 -75.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 90' ' ' LEU . 54.7 mt -51.96 -35.85 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -30.59 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -86.96 -41.42 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.05 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -97.33 -69.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 165.39 121.7 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.467 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.5 mm -35.59 -36.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -64.71 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' GLY . 94.8 m-70 -68.81 -41.74 78.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -43.17 -36.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 34.6 tptt -37.66 -53.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -42.6 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -43.6 -43.77 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.604 ' CD2' HG23 ' A' ' 107' ' ' ILE . 30.4 mt -106.67 108.87 20.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.76 138.52 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CE1' HD13 ' A' ' 105' ' ' LEU . 5.5 m-85 -116.19 121.01 40.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.1 t -112.17 116.89 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -90.1 159.69 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 t -138.37 167.2 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -135.4 174.0 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 128.19 -85.56 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 176.77 6.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -82.3 15.3 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.1 130.22 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -82.37 127.17 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -119.57 130.55 55.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.17 123.52 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.2 m -97.94 106.6 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 92' ' ' TYR . 26.0 tp -81.44 102.77 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -86.15 100.94 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -95.51 148.84 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 37.9 mmtt -117.52 -43.07 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.551 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 37.6 t90 -100.67 138.65 20.15 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.527 0.68 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.732 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.2 Cg_endo -69.8 -41.8 0.85 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -111.35 169.53 8.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.4 m -80.0 107.15 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 114' ' ' GLU . 2.8 t -140.69 164.58 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.448 ' N ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -145.42 146.18 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 m -137.45 157.54 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.71 144.48 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.16 112.47 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -97.42 167.71 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.91 164.67 24.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.5 m -61.04 -57.66 11.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -106.63 178.68 4.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.03 -27.86 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 tp -75.66 -31.26 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.41 -38.98 48.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.96 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.37 -57.07 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -41.88 -56.29 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -49.97 -56.36 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.51 -56.7 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.53 -54.98 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.38 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -57.93 -22.69 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.402 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.71 -33.52 14.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.9 m -49.39 -33.05 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 7.5 pt20 -71.51 -31.79 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 93.0 mt -71.69 -44.79 63.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.539 ' CD2' HG11 ' A' ' 76' ' ' VAL . 27.1 m-85 -59.74 -51.68 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -34.89 78.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.18 72.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -80.75 -23.08 39.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.48 26.53 5.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 158' ' ' LEU . 27.0 mt -100.03 -28.36 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.64 HD21 ' CG2' ' A' ' 76' ' ' VAL . 88.5 mt -111.24 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 117.83 -170.21 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.52 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.7 7.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -107.88 35.36 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.749 ' ND2' HD21 ' A' ' 72' ' ' LEU . 3.7 t-20 40.26 54.49 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -99.04 109.33 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 43.5 mt -57.57 179.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 149' ' ' LEU . 22.4 m-85 -138.93 165.76 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.21 156.27 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.07 -29.58 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.71 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -53.62 -35.33 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -64.91 -47.99 75.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -50.67 -36.06 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.37 -38.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.774 HD13 HD23 ' A' ' 142' ' ' LEU . 39.5 mt -56.3 -51.86 66.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.63 -49.12 75.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 163' ' ' GLY . 10.7 t70 -41.23 -60.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 160' ' ' ASP . 56.6 mtp180 -35.22 -36.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 160' ' ' ASP . 42.1 m-85 -87.18 -39.77 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -37.08 127.19 1.16 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 163' ' ' GLY . 66.5 m -36.52 147.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 95.18 83.25 1.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.26 . . . . 0.0 112.358 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.6 p -146.4 121.5 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.2 t -124.76 109.59 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -106.4 -33.5 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.4 p -124.22 157.72 34.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.14 54.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.2 t -160.56 106.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.0 p -100.0 133.85 43.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.0 105.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.52 -47.31 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.9 p -121.0 36.63 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmt-85 -119.78 171.19 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -100.68 126.27 47.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 132' ' ' ALA . 47.2 mt -47.08 -39.46 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.68 -42.03 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -41.8 -43.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.81 -47.4 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -102.71 96.66 7.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.92 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -119.68 75.32 18.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.51 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.0 Cg_endo -69.77 -23.8 30.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -67.62 -33.98 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -95.66 -40.18 9.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.98 -67.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD23 HD13 ' A' ' 90' ' ' LEU . 11.2 tp -42.38 -58.12 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -50.99 -53.26 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -48.21 -47.15 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.5 HG11 ' HD2' ' A' ' 137' ' ' PHE . 58.6 t -46.39 -72.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.443 ' CG2' HD12 ' A' ' 81' ' ' LEU . 57.6 mt -56.87 -34.48 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.76 -29.6 72.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -87.68 -35.61 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.13 -55.03 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD21 ' CD1' ' A' ' 109' ' ' TRP . 12.4 mt -100.74 -61.45 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.41 128.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.738 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.3 mp -39.95 -36.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -60.88 -54.33 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.0 m-70 -64.68 -47.96 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -35.56 -33.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' HIS . 67.3 mttt -39.91 -64.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 25.8 t70 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . 22.0 mmtm -36.39 -38.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD13 HD23 ' A' ' 73' ' ' LEU . 82.9 mt -114.74 106.82 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.92 139.24 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -114.56 121.87 44.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -107.77 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -81.56 123.03 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 p -119.78 136.07 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -106.41 143.38 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.63 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -58.57 -37.33 75.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -93.51 152.73 18.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -90.79 153.43 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -126.92 136.78 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.499 HG21 ' HG2' ' A' ' 126' ' ' GLU . 17.5 t -131.7 118.79 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.6 m -96.54 106.31 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' HB3' HG23 ' A' ' 115' ' ' VAL . 17.4 tp -80.97 104.62 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -86.41 105.28 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 14.5 mt -99.05 149.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 34.5 mmtt -117.74 -42.76 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 40.0 t90 -100.5 138.39 20.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.661 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.5 Cg_endo -69.72 -41.15 0.95 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.309 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 6.2 ptmt -113.15 169.9 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 m -79.19 107.74 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.73 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -139.94 167.86 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.527 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -147.48 147.48 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 105' ' ' LEU . 15.8 m -139.39 150.93 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.96 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -136.0 117.66 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 2.2 m-85 -107.4 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 165.53 144.25 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.75 -49.25 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HD3' ' CG ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -99.84 -176.44 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -70.01 -43.99 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 127' ' ' ARG . 1.4 tp -62.66 -43.95 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.482 ' CB ' ' HA3' ' A' ' 119' ' ' GLY . 19.2 m-20 -55.88 -37.11 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.423 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -66.51 -72.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HG2' HG21 ' A' ' 103' ' ' VAL . 11.9 mt-10 -54.05 -37.81 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 123' ' ' ILE . 40.0 ttp180 -58.51 -40.79 83.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.5 -48.03 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.1 -50.68 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.07 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -63.01 -36.86 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.466 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -62.39 -22.06 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.23 -38.2 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.2 m -45.13 -36.75 3.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 13.7 pt20 -68.06 -32.88 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 92.7 mt -70.67 -36.68 73.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.5 ' HD2' HG11 ' A' ' 76' ' ' VAL . 16.1 m-85 -67.89 -49.66 60.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.638 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.9 ptmm? -63.09 -46.8 85.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.17 -38.85 95.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.73 ' HH2' HG21 ' A' ' 113' ' ' VAL . 25.5 m0 -66.45 -24.41 66.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.4 27.89 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.661 HD11 ' HG3' ' A' ' 110' ' ' PRO . 35.5 mt -93.3 -30.47 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -116.63 -58.85 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.12 -163.89 14.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -36.34 10.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -103.7 29.3 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.02 46.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.04 125.72 37.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.91 174.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.487 ' CE2' ' O ' ' A' ' 142' ' ' LEU . 24.8 m-85 -133.88 179.17 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.76 131.86 44.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -40.06 -40.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.24 -59.19 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.4 ' HA ' HD12 ' A' ' 158' ' ' LEU . 8.1 m-85 -53.16 -48.83 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -51.13 -42.77 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 66.0 t -74.89 -38.72 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 155' ' ' TYR . 59.7 mt -56.27 -54.55 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.485 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.62 -36.07 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.32 -41.54 84.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -56.07 -13.88 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -99.39 15.43 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.42 -120.96 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 12.3 t -90.81 112.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 169.9 -77.11 0.1 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.302 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 20.2 m 65.83 44.12 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 28.1 t -83.77 157.72 21.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 t -63.75 155.67 29.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 p -135.67 168.43 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.57 105.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' SER . 8.8 t -141.1 176.91 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . 32.8 p 37.92 42.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.11 143.9 10.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.06 110.17 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.2 m -68.06 -57.1 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -97.26 132.17 43.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 132' ' ' ALA . 43.8 mt -79.03 -43.15 24.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -46.95 -35.72 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.54 -40.0 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.44 -35.36 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 6.8 m-85 -108.43 94.11 12.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.9 Cg_endo -69.73 -40.4 5.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -126.18 79.4 69.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.545 0.688 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -23.8 30.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -80.65 -33.42 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.0 tt -64.95 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.536 HD23 HD13 ' A' ' 90' ' ' LEU . 13.1 tp -48.41 -58.17 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -52.65 -46.43 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -52.97 -43.04 66.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG11 ' CD2' ' A' ' 137' ' ' PHE . 96.4 t -51.37 -74.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.65 -31.51 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.48 -33.54 71.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -85.65 -45.84 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.404 HD11 ' CD1' ' A' ' 109' ' ' TRP . 12.5 mt -107.55 -69.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.03 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 83' ' ' ILE . 4.5 mp -39.84 -38.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.1 p -61.7 -52.44 64.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -66.37 -44.37 83.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.3 -33.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -41.66 -58.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -43.96 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -41.64 -41.37 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.536 HD13 HD23 ' A' ' 73' ' ' LEU . 39.2 mt -107.94 112.93 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.6 t -114.91 143.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.51 119.12 32.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.79 120.22 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -91.39 155.74 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 t -137.88 133.79 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -114.58 122.02 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.62 -69.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.637 2.225 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 151.25 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -80.08 145.84 32.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -128.77 129.7 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -121.78 128.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.5 m -103.2 109.34 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 115' ' ' VAL . 18.1 tp -81.08 111.2 17.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -92.95 104.69 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 90' ' ' LEU . 17.1 mt -99.29 145.75 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 43.6 mmtt -114.33 -42.41 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.551 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 51.4 t90 -100.82 138.88 20.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.513 0.673 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.677 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.2 Cg_endo -69.78 -41.32 0.93 Allowed 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.284 -0.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.8 ptmt -112.02 169.77 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -80.46 109.39 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 114' ' ' GLU . 5.6 t -144.03 166.57 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.542 ' N ' HG12 ' A' ' 113' ' ' VAL . 4.9 mp0 -144.34 153.4 41.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 129' ' ' ALA . 20.5 m -144.34 158.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -102.88 150.28 23.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -141.41 108.01 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -96.31 167.11 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.66 160.53 18.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.6 m -64.05 -44.1 93.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.945 0.403 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -114.3 -179.56 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.5 -44.78 93.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.519 HG23 ' OD1' ' A' ' 124' ' ' ASP . 3.9 tp -63.37 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.519 ' OD1' HG23 ' A' ' 123' ' ' ILE . 3.7 m-20 -63.38 -43.54 97.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.98 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.67 -48.89 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -51.1 -44.03 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.98 -56.08 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.431 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -40.35 -51.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.52 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.76 -42.97 37.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.08 -27.53 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.79 -34.36 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 80.5 m -46.48 -38.0 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -34.32 75.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -39.01 81.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.417 ' CD2' HG11 ' A' ' 76' ' ' VAL . 14.8 m-85 -66.6 -51.79 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.698 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.8 ptmm? -60.1 -39.6 86.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.41 97.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 26.0 m0 -69.05 -25.45 64.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.76 30.73 4.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.677 HD11 ' HG3' ' A' ' 110' ' ' PRO . 30.8 mt -95.61 -24.98 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -119.33 -68.87 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 130.19 -163.21 23.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.11 5.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -99.3 28.59 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 15.2 p30 41.37 48.91 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -98.8 133.73 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.81 179.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 19.3 m-85 -130.97 -174.25 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.8 OUTLIER -81.12 130.54 35.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.03 -46.44 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.59 -60.17 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.415 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 11.1 tttp -49.84 -42.68 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -57.3 -45.0 84.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -54.07 -39.77 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.3 t -78.4 -43.59 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.583 HD13 HD23 ' A' ' 142' ' ' LEU . 50.3 mt -51.87 -33.85 38.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.482 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.11 -31.88 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 163' ' ' GLY . 11.1 t0 -55.21 -58.09 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -41.39 -31.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' A' ' 110' ' ' PRO . 66.2 m-85 -88.61 -36.4 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . 147.36 152.76 5.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.3 t -93.7 -62.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 119.52 -91.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.97 23.05 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.0 t -72.87 141.73 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 6.1 m -61.23 -47.06 87.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 p -101.1 151.94 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.7 p -79.23 110.72 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.53 64.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -84.06 43.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -123.34 118.03 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.67 -109.69 3.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.61 123.11 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 t -68.31 161.51 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.21 115.95 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.01 104.26 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 132' ' ' ALA . 27.6 mt -64.48 -45.35 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 mt -42.97 -36.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -43.88 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.72 -35.58 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 9.2 m-85 -110.33 98.13 34.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.0 Cg_endo -69.75 -45.22 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.378 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -124.1 79.02 59.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.2 Cg_endo -69.8 -37.3 9.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -60.16 -34.53 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -92.43 -41.14 10.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.9 tt -59.6 -56.36 22.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.64 -56.51 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -50.74 -56.87 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.46 -49.21 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.541 HG21 HD21 ' A' ' 143' ' ' LEU . 62.2 t -48.38 -73.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.603 ' CD1' HD21 ' A' ' 90' ' ' LEU . 67.4 mt -51.67 -35.26 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.34 99.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.25 -36.7 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -66.82 -59.78 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 109' ' ' TRP . 7.5 mt -101.98 -69.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 169.54 126.78 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.0 mp -38.7 -37.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' GLY . 93.2 m-70 -75.35 -53.57 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 77' ' ' ILE . . . -39.76 -28.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' HIS . 9.2 mtpm? -53.3 -50.53 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -54.06 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.568 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.54 -29.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 77' ' ' ILE . 19.2 mt -107.27 102.76 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.45 141.29 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 13.3 m-85 -119.52 110.12 16.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.1 t -95.67 110.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -81.88 127.39 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.6 p -127.08 161.88 27.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -139.3 164.41 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 157.38 -70.07 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 -30.54 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.03 168.97 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -89.62 150.93 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -128.78 138.12 51.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.53 124.17 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -98.53 106.87 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 26.0 tp -82.19 112.07 18.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.513 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 20.6 m80 -96.13 103.55 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.426 HD11 ' CB ' ' A' ' 133' ' ' ALA . 23.6 mt -94.83 151.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 44.3 mmtt -117.88 -42.43 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.653 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 56.4 t90 -100.56 138.68 20.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.545 0.688 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.86 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.312 0.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ptmt -112.74 169.96 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.2 p -78.97 107.67 11.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.09 165.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.513 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 3.7 mp0 -145.96 150.97 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.6 m -141.57 175.95 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 28.9 mp0 -119.32 145.81 45.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.483 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -137.25 109.17 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -94.95 169.44 10.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.95 160.71 17.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.5 m -67.02 -50.57 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -102.98 173.17 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -63.97 -39.07 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.72 -30.39 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -45.76 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.82 -47.17 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -59.63 -55.51 33.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -42.6 -57.51 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -49.67 -49.88 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.483 ' N ' ' HA3' ' A' ' 117' ' ' GLY . . . -47.17 -54.21 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -58.45 -53.28 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.535 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.13 -44.08 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -54.49 -26.39 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -88.79 -31.67 18.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.9 m -51.66 -35.85 43.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -62.89 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.52 -44.35 62.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.45 ' CD2' HG11 ' A' ' 76' ' ' VAL . 14.6 m-85 -64.55 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -67.07 -51.47 54.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.55 98.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.427 ' HH2' HG21 ' A' ' 113' ' ' VAL . 31.4 m0 -59.0 -33.59 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.24 3.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.673 HD23 HD13 ' A' ' 158' ' ' LEU . 40.4 mt -99.72 -27.51 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.541 HD21 HG21 ' A' ' 76' ' ' VAL . 2.1 mt -111.02 -61.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.47 -163.83 14.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.12 4.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -104.1 32.43 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 p30 39.93 50.98 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.89 111.15 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 74.7 mt -44.6 165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.511 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 16.5 m-85 -117.53 -178.38 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.95 134.41 37.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.59 -51.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.65 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.511 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 23.7 tttt -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.91 -47.18 74.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -50.23 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.1 t -79.96 -39.15 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.673 HD13 HD23 ' A' ' 142' ' ' LEU . 50.8 mt -58.68 -32.14 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.653 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.97 -27.65 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -64.77 -52.41 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -49.62 -27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.36 -34.49 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 173.79 125.26 0.84 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.8 t -58.06 120.27 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -56.65 160.4 8.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.94 68.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -80.26 -46.05 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 45.2 m -138.0 169.15 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -116.46 83.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.6 p -74.91 156.11 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.91 -47.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -69.92 100.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.1 p -93.69 171.42 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.68 75.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.72 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.2 m -40.16 -58.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' NE ' ' HA ' ' A' ' 60' ' ' ARG . 2.6 mmp_? -66.26 149.8 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.7 146.68 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 132' ' ' ALA . 28.7 mt -65.39 -43.58 90.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -43.48 -41.46 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -40.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -86.15 -35.73 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 8.6 m-85 -107.68 106.59 58.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.12 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -129.21 84.1 63.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.85 27.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -65.59 -41.64 92.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -89.87 -41.85 11.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.6 tt -54.9 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD21 HD21 ' A' ' 105' ' ' LEU . 12.8 tp -48.48 -57.2 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -50.26 -52.12 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -50.17 -44.73 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 72' ' ' LEU . 20.2 t -48.25 -71.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.81 -34.58 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -29.73 62.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -86.72 -42.07 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -58.34 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.69 -65.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . 159.9 126.33 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' GLY . 20.9 mt -36.5 -46.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -52.32 -50.72 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' ALA . 97.5 m-70 -69.04 -49.84 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.44 -41.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -35.57 -64.91 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -39.66 -46.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 HG23 ' A' ' 107' ' ' ILE . 86.7 mt -99.18 111.03 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.15 140.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -118.09 122.6 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -108.92 106.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' CE1' HG21 ' A' ' 103' ' ' VAL . 29.2 m-70 -84.92 150.33 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 t -129.55 154.18 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -133.02 141.23 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.27 -65.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 153.54 68.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -41.43 -64.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 152.36 25.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -88.23 144.88 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -126.42 137.29 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 94' ' ' HIS . 17.8 t -130.64 119.59 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.8 m -94.59 106.71 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.503 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.0 tp -81.2 104.68 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 22.3 m-70 -86.89 100.99 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 133' ' ' ALA . 10.8 mt -94.49 149.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 111' ' ' LYS . 42.1 mmtt -116.12 -41.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 59.2 t90 -100.54 138.13 20.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.0 Cg_endo -69.76 -41.37 0.92 Allowed 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.37 -0.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 108' ' ' LYS . 5.4 ptmt -112.62 170.28 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -78.45 100.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG12 ' N ' ' A' ' 114' ' ' GLU . 10.1 t -131.83 167.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.576 ' N ' HG12 ' A' ' 113' ' ' VAL . 2.8 mp0 -148.14 143.31 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 129' ' ' ALA . 23.7 m -135.78 154.6 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -98.68 150.55 21.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.73 124.89 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.89 164.35 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.59 164.05 22.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 m -59.95 -60.9 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -100.31 174.71 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -59.16 -41.01 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -61.92 -32.12 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.64 -48.46 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.51 -32.95 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.61 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -39.14 -43.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -63.37 -53.53 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -43.29 -48.95 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -64.11 -47.39 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.29 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.43 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -61.01 -28.6 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.511 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -85.1 -39.64 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m -43.22 -46.1 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -53.97 -39.73 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.76 -46.4 88.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.607 ' CD2' HD13 ' A' ' 142' ' ' LEU . 43.5 m-85 -61.54 -43.44 98.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -59.84 -57.42 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.73 -46.0 90.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -55.33 -38.66 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.85 29.08 3.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 137' ' ' PHE . 54.4 mt -90.47 -32.99 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 76' ' ' VAL . 2.3 mt -106.2 -64.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 128.29 -163.43 21.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -46.48 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -105.76 41.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 147' ' ' ASN . 5.3 p-10 40.02 52.26 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -102.53 101.34 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 88.5 mt -43.67 164.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.488 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 20.1 m-85 -116.22 177.37 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 134.55 47.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -38.82 -43.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.24 -60.17 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.488 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.4 tttm -48.51 -43.43 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.67 -50.67 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -47.3 -36.08 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.59 -44.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 142' ' ' LEU . 38.3 mt -51.08 -36.48 40.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.62 -31.48 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -58.42 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -47.92 -28.65 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -79.97 -40.54 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -155.57 -109.77 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 30.7 t -166.86 152.36 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -148.47 89.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 30.8 t -64.46 102.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.6 t -89.86 -48.37 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -133.71 -48.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.1 p -127.46 122.82 34.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -107.68 75.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -94.22 86.21 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 m -161.81 158.1 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.68 95.71 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.69 71.15 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -96.48 114.39 26.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -139.24 152.81 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' LEU . 1.1 m-20 61.72 34.39 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 132' ' ' ALA . 19.7 mt -39.12 -28.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.9 mt -47.36 -44.62 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 12.6 ptpt -40.84 -45.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 14.0 mm-40 -76.74 -43.28 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -111.5 105.13 56.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.681 0.753 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.3 Cg_endo -69.69 -46.3 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.363 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -120.53 79.62 29.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.6 29.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -70.28 -39.68 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -88.28 -39.01 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.6 tt -58.49 -65.46 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.24 -57.53 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -50.58 -45.44 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -55.01 -44.81 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.824 ' CG2' HD21 ' A' ' 143' ' ' LEU . 60.5 t -50.61 -67.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.573 ' CD1' HD21 ' A' ' 90' ' ' LEU . 62.6 mt -60.3 -31.7 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.52 -22.98 66.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -95.45 -40.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.24 -59.43 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 109' ' ' TRP . 10.8 mt -98.8 -62.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.16 127.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.1 mt -39.49 -37.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -61.11 -54.66 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -66.44 -43.61 85.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -38.85 -32.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.4 mmtm -35.86 -64.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' LYS . 17.4 t0 -71.72 -48.12 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' ASP . 48.2 mmtt -34.16 -37.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 77' ' ' ILE . 55.1 mt -116.38 105.35 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.19 141.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.96 122.73 44.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -107.15 107.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -78.79 150.28 32.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -128.37 161.19 30.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -144.02 144.34 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.79 -71.94 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 152.15 69.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.57 -46.68 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.24 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -95.68 146.21 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 19.7 tttp -129.7 142.72 50.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.3 120.19 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 108.62 21.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 21.6 tp -81.25 105.46 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.597 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 32.0 m80 -88.63 102.88 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 90' ' ' LEU . 12.6 mt -95.99 149.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 12.5 mmtp -116.05 -40.43 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.549 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.3 t90 -100.52 138.2 20.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.54 0.686 . . . . 0.0 110.951 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.8 -41.12 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.8 OUTLIER -113.07 170.37 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 p -77.28 106.68 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -138.92 168.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.597 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 4.0 mp0 -147.82 150.47 34.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 30.6 m -140.95 153.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -100.83 137.69 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.38 127.8 5.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 m-85 -111.81 162.46 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.4 178.03 40.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -100.23 169.1 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -46.5 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 124' ' ' ASP . 7.5 tp -63.19 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 123' ' ' ILE . 1.0 OUTLIER -65.25 -47.55 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.43 75.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.37 -46.56 82.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -46.29 -55.47 7.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ALA . 13.1 mm-40 -51.26 -60.23 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.27 -60.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.08 -56.24 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.77 -41.53 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.687 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -56.63 -24.92 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.89 -31.02 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.8 m -48.56 -39.81 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 3.3 pt20 -63.74 -31.51 72.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 81.5 mt -72.25 -40.72 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.725 ' HD2' HG11 ' A' ' 76' ' ' VAL . 10.3 m-85 -70.81 -27.16 63.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -72.11 -50.1 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -43.01 93.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.461 ' HH2' HG21 ' A' ' 113' ' ' VAL . 30.3 m0 -56.18 -32.1 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.27 33.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.707 HD23 HD13 ' A' ' 158' ' ' LEU . 51.6 mt -96.92 -30.78 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.824 HD21 ' CG2' ' A' ' 76' ' ' VAL . 2.6 mt -111.89 -65.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 119.82 -166.17 13.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.0 3.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -101.24 32.25 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 41.02 34.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -85.63 109.67 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 70.0 mt -57.44 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.556 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 15.9 m-85 -138.17 177.21 8.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -76.01 143.4 41.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 153' ' ' ALA . . . -37.49 -57.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 152' ' ' ALA . . . -36.1 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.556 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 14.6 tttm -57.45 -51.3 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.449 ' HA ' HD12 ' A' ' 158' ' ' LEU . 29.3 m-85 -57.92 -39.78 78.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.1 ttm105 -56.95 -42.51 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.69 -36.67 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.707 HD13 HD23 ' A' ' 142' ' ' LEU . 65.4 mt -57.03 -49.21 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.76 75.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.92 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -48.1 -22.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -91.97 -30.49 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 59.87 123.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 86.5 p -86.27 -37.41 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 123.54 -94.93 0.51 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 101.01 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.741 2.294 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 168' ' ' SER . 31.8 p -137.93 127.41 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 167' ' ' SER . 73.4 m -36.9 125.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.9 p -136.03 151.65 50.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -135.72 148.62 48.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.11 -163.95 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -69.76 151.57 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -51.03 122.64 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.58 -57.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.85 148.16 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -94.54 176.15 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.1 mmt-85 -65.78 88.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -123.57 172.68 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 132' ' ' ALA . 27.2 mt -90.28 -38.92 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -43.87 -36.38 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -46.72 -42.58 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -82.01 -43.99 17.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.04 103.0 26.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -41.36 4.46 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -130.32 80.43 70.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 54.1 Cg_endo -69.74 -36.15 11.37 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -62.61 -31.82 72.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.96 -35.98 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.5 tt -66.33 -61.11 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 90' ' ' LEU . 11.1 tp -50.41 -58.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -49.78 -48.46 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -50.82 -45.72 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.74 ' CG2' HD21 ' A' ' 143' ' ' LEU . 97.9 t -48.7 -71.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.06 -34.59 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.14 -22.34 62.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -93.59 -38.22 11.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.3 -60.12 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -93.61 -67.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 163.84 122.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.6 mm -36.49 -37.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 p -66.35 -49.41 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 82' ' ' GLY . 96.3 m-70 -64.41 -42.92 95.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -42.58 -40.82 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.5 ttpt -36.11 -58.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.46 -45.55 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -45.92 -42.08 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 73' ' ' LEU . 19.0 mt -103.04 108.57 19.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 t -111.66 140.67 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -119.58 123.96 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.73 108.24 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.504 ' CG ' HG22 ' A' ' 103' ' ' VAL . 12.4 m-70 -80.42 142.15 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.465 HG22 ' HB3' ' A' ' 102' ' ' LYS . 1.3 t -117.26 124.13 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -102.87 160.67 14.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.5 -69.33 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.93 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -61.27 -57.28 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -84.33 145.71 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -82.8 148.98 27.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HB3' HG22 ' A' ' 95' ' ' THR . 43.3 tttm -138.43 127.58 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.504 HG22 ' CG ' ' A' ' 94' ' ' HIS . 9.1 t -113.33 134.58 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.0 m -105.51 105.48 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.03 105.79 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.43 ' CD2' ' HG2' ' A' ' 114' ' ' GLU . 21.3 m80 -90.55 103.44 16.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 133' ' ' ALA . 13.4 mt -96.21 148.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 24.2 mmtp -115.71 -42.79 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.555 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.0 t90 -100.13 138.58 20.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.1 Cg_endo -69.75 -40.73 1.04 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.388 -0.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.7 ptmt -114.25 168.27 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 110.24 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 114' ' ' GLU . 5.3 t -144.59 167.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.547 ' N ' HG12 ' A' ' 113' ' ' VAL . 5.0 mp0 -146.43 152.74 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 129' ' ' ALA . 9.8 m -140.52 163.08 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 143.67 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.28 115.2 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -100.7 162.54 12.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.958 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.79 5.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 m -55.25 -51.52 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -106.92 172.56 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -53.36 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 124' ' ' ASP . 4.5 tp -51.77 -55.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.576 ' H ' HG23 ' A' ' 123' ' ' ILE . 2.2 m-20 -50.12 -40.2 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.37 -27.95 68.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -64.89 -53.19 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.34 -49.22 74.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.518 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.42 -53.57 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -61.55 -53.16 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -53.94 -31.42 50.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -66.04 -23.52 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.449 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -93.51 -29.77 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.81 -33.67 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 7.8 pt20 -67.53 -32.95 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 86.9 mt -71.53 -42.88 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.502 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.3 m-85 -63.19 -40.71 98.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.46 -58.71 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.62 -39.73 86.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -59.38 -35.85 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.86 29.29 4.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.24 -37.2 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.74 HD21 ' CG2' ' A' ' 76' ' ' VAL . 3.6 mt -103.41 -55.59 2.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.89 -169.61 15.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -32.6 18.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -110.89 28.5 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 44.25 49.75 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -100.22 108.29 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.3 mt -48.19 159.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.471 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -113.59 -179.29 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 152' ' ' ALA . 1.2 m-20 -75.92 131.61 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.13 -45.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.37 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.471 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 22.7 tttm -54.38 -40.51 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.52 -49.9 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -48.84 -39.44 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.79 -41.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 42.5 mt -55.05 -51.62 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -55.69 -35.89 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' GLY . 9.9 t70 -51.67 -54.76 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -41.39 -33.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.02 -35.42 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -154.8 -106.07 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.3 t -141.2 170.29 16.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -87.86 141.55 17.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -16.3 37.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 20.3 m -43.36 130.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 169' ' ' GLY . 8.3 t -60.24 -48.38 81.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' SER . 1.9 m -101.9 42.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -37.58 140.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.23 -171.28 13.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.4 p -145.98 170.09 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -70.99 104.19 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.13 -104.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.45 140.96 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 m -39.93 149.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.42 103.64 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.28 105.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 mt -74.73 -38.77 62.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 63' ' ' LEU . 25.2 mt -44.07 -44.2 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -42.94 -43.09 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.37 -43.76 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 24.1 m-85 -106.94 104.22 50.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.5 Cg_endo -69.82 -49.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.57 77.53 8.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.448 ' HB2' ' N ' ' A' ' 131' ' ' ALA . 53.7 Cg_endo -69.77 -25.77 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -75.11 -33.37 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -90.68 -43.11 10.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -58.0 -63.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -45.89 -58.79 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.42 -54.56 20.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -44.99 -45.25 10.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG21 HD21 ' A' ' 143' ' ' LEU . 65.8 t -50.99 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -55.43 -27.52 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.24 80.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -85.82 -48.89 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.69 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -98.63 -68.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 129.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 83' ' ' ILE . 4.2 mp -40.88 -36.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p -63.43 -53.15 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -64.99 -50.42 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.37 -35.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.1 tptm -36.63 -62.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' LYS . 2.1 m-20 -70.86 -44.55 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' ASP . 54.3 mmtt -36.99 -43.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.448 HD23 HG23 ' A' ' 107' ' ' ILE . 92.7 mt -103.36 111.49 23.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.12 136.92 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.78 121.47 45.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -112.43 110.28 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -86.53 142.09 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -117.62 157.86 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -136.08 127.26 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.88 -71.07 0.17 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.14 43.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -49.49 -53.98 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -85.26 145.47 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -88.4 142.42 27.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -125.52 152.01 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.6 t -136.02 120.32 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.4 m -92.68 104.44 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 130' ' ' ALA . 18.5 tp -81.48 104.88 12.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -86.32 104.63 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 133' ' ' ALA . 13.3 mt -98.07 146.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.2 mmtp -112.98 -42.65 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.616 ' CD1' HD21 ' A' ' 81' ' ' LEU . 33.1 t90 -100.08 138.14 20.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.727 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.7 Cg_endo -69.76 -41.24 0.94 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -113.89 168.81 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.6 p -76.79 102.98 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.677 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.7 t -133.98 168.69 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.56 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.6 mp0 -148.22 145.62 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 129' ' ' ALA . 23.8 m -138.06 157.83 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -101.02 150.42 22.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.57 118.6 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -101.45 161.69 13.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.17 171.27 34.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 t -77.8 -52.71 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.32 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -62.61 -59.35 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.3 tp -54.15 -38.0 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.14 -50.77 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.98 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.5 -53.81 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -41.02 -52.25 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.01 -51.2 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -45.22 -54.3 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.459 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -59.49 -51.06 71.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.448 ' N ' ' HB2' ' A' ' 69' ' ' PRO . . . -52.66 -40.76 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -56.25 -22.65 31.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.6 -33.08 14.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.5 m -48.4 -39.36 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 10.3 pt20 -66.13 -35.51 80.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.9 mt -67.68 -40.71 84.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.51 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.4 m-85 -69.6 -28.32 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -74.78 -45.64 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.95 -44.39 88.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.677 ' HH2' HG21 ' A' ' 113' ' ' VAL . 24.3 m0 -57.44 -33.14 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.49 36.8 2.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.727 HD11 ' HG3' ' A' ' 110' ' ' PRO . 44.3 mt -100.19 -25.72 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.535 HD21 HG21 ' A' ' 76' ' ' VAL . 1.8 mt -110.7 -66.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.32 -166.19 20.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -92.1 30.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.0 52.38 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -110.26 114.07 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.407 ' CD2' HG22 ' A' ' 76' ' ' VAL . 65.4 mt -44.81 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 15.8 m-85 -115.94 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -79.92 134.48 36.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.632 ' HB1' HH12 ' A' ' 156' ' ' ARG . . . -38.8 -48.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.55 -56.94 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.423 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 25.5 tttp -54.32 -41.28 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -48.98 79.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.632 HH12 ' HB1' ' A' ' 152' ' ' ALA . 55.9 mtt85 -50.98 -38.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.81 -42.14 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.675 HD13 HD23 ' A' ' 142' ' ' LEU . 39.3 mt -52.52 -37.49 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.59 -27.05 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.04 -59.72 4.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -51.47 -27.36 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -80.37 -38.94 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -137.18 115.04 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.3 t -41.57 -55.34 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 55.73 172.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.79 64.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.1 p -60.98 161.83 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.8 p -121.08 -46.79 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -146.81 148.81 32.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.4 p -70.57 159.46 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -132.18 61.52 0.66 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.0 p -125.25 84.29 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -107.08 163.47 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.28 112.0 3.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.35 -54.78 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -138.85 132.32 30.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 61' ' ' ASP . 14.9 ptp180 -53.24 -45.88 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' ARG . 33.6 t0 -35.13 110.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -83.43 -44.49 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.5 mt -43.52 -38.73 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -41.57 -43.78 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.94 -45.1 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -104.33 93.73 6.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -117.36 77.16 9.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.74 -32.4 18.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -64.21 -42.11 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -86.79 -42.01 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.618 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.8 tt -60.14 -57.39 13.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.1 -58.12 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -51.34 -50.17 59.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.7 m -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 72' ' ' LEU . 46.5 t -53.03 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.5 -35.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -26.48 58.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -89.94 -42.81 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.63 -59.23 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.79 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.57 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.447 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mm -37.81 -36.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -62.53 -51.25 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -68.9 -44.57 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.4 -35.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -44.25 -55.57 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -36.82 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -50.63 -45.32 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.417 HD23 HG23 ' A' ' 107' ' ' ILE . 91.9 mt -103.88 110.67 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.32 143.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -119.72 118.71 31.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.9 115.13 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -88.75 128.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 102' ' ' LYS . 1.3 t -108.43 142.15 39.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -118.57 155.32 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.94 -66.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.38 67.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -46.77 -46.44 20.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -90.95 163.8 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.75 140.15 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HB3' ' CG2' ' A' ' 95' ' ' THR . 40.7 tttm -128.79 131.34 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.415 HG21 ' HG2' ' A' ' 126' ' ' GLU . 11.4 t -118.82 125.81 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m -97.81 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.92 106.58 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 13.8 m-70 -91.77 101.84 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' A' ' 133' ' ' ALA . 14.9 mt -93.54 149.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 23.2 mmtp -116.42 -43.29 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.577 ' CH2' HD22 ' A' ' 142' ' ' LEU . 46.1 t90 -100.57 138.46 20.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.69 -41.27 0.93 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.4 ptmt -112.62 169.78 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.7 p -80.07 103.54 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.817 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -135.3 168.5 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.55 ' H ' HG12 ' A' ' 113' ' ' VAL . 5.0 mp0 -147.71 153.03 38.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 129' ' ' ALA . 13.9 m -141.6 166.2 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 145.0 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -138.43 107.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.41 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 m-85 -96.45 162.45 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.45 134.64 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 t -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -104.05 170.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -57.36 -56.41 22.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.646 ' O ' HD12 ' A' ' 123' ' ' ILE . 0.4 OUTLIER -56.71 -42.01 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.2 -45.97 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -57.87 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HG2' HG21 ' A' ' 103' ' ' VAL . 17.8 mt-10 -55.35 -51.31 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -43.5 -48.62 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -61.41 -51.4 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.533 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -45.16 -52.08 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -58.44 -52.13 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.46 -40.82 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -58.56 -21.58 53.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -94.29 -31.64 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' CYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 94.5 m -49.29 -38.58 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.72 -36.65 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.81 -50.62 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.794 ' HB3' HD23 ' A' ' 143' ' ' LEU . 17.9 m-85 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.471 ' HB2' HD11 ' A' ' 143' ' ' LEU . 30.8 tttm -48.79 -58.39 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.37 97.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.817 ' HH2' HG21 ' A' ' 113' ' ' VAL . 29.6 m0 -59.76 -15.1 17.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.88 35.88 30.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.577 HD22 ' CH2' ' A' ' 109' ' ' TRP . 36.3 mt -96.76 -33.67 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.794 HD23 ' HB3' ' A' ' 137' ' ' PHE . 2.6 pp -112.64 -37.75 4.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.722 ' O ' HD12 ' A' ' 143' ' ' LEU . . . 111.59 -171.74 14.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -44.05 2.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.755 2.303 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 15.5 mmp_? -111.66 42.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.543 ' HA ' HD13 ' A' ' 143' ' ' LEU . 0.6 OUTLIER 48.04 44.59 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -92.05 84.94 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 mt -38.72 158.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -116.36 -178.7 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.24 145.69 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.58 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -48.27 -56.21 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -52.73 -46.88 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -53.45 -47.61 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -50.86 -35.55 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.48 -43.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 61.9 mt -50.15 -33.74 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.44 -42.51 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -47.69 -49.11 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 162' ' ' PHE . 0.0 OUTLIER -51.38 -35.16 37.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.41 ' N ' ' HG2' ' A' ' 161' ' ' ARG . 64.2 m-85 -81.85 -19.58 40.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 123.61 96.64 1.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.0 m -163.16 150.17 12.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -150.8 -155.19 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 167' ' ' SER . 53.8 Cg_endo -69.73 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 166' ' ' PRO . 7.7 t -34.47 120.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 41.7 t -90.2 -54.37 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.0 m -65.51 172.06 3.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 t -46.45 -59.18 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 40.78 54.8 3.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.9 t -109.88 110.62 21.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -48.63 109.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.22 -147.19 8.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.84 95.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -42.81 159.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 -118.79 172.76 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.65 118.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.9 mt -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.59 -34.66 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -44.71 -42.45 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.71 -39.64 13.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.87 87.75 3.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.37 3.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.381 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -116.47 74.7 6.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -23.4 31.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -37.74 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -93.23 -36.87 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.3 -65.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.56 -57.44 8.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -52.07 -48.64 64.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -50.13 -42.3 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.6 t -54.3 -74.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.178 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.24 -24.34 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.91 71.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -93.81 -34.52 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.325 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -57.52 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 109' ' ' TRP . 11.4 mt -100.09 -62.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.01 125.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mt -38.68 -40.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -60.13 -51.76 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.33 -45.13 81.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.26 -39.48 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -38.44 -60.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -45.59 73.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -44.95 -44.86 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.63 106.21 18.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.3 t -108.07 140.0 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.438 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.9 m-85 -118.99 112.84 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.82 108.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -74.5 123.05 24.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 p -120.34 167.85 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -134.54 114.8 13.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.77 -153.32 11.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 97.27 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 44.45 30.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 118' ' ' TYR . 5.4 ptpt -142.98 142.63 31.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -99.11 135.1 40.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 27.2 tttm -130.44 158.37 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.404 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 11.1 t -147.16 119.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.5 m -94.74 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.498 ' HB3' HG23 ' A' ' 115' ' ' VAL . 26.5 tp -81.4 104.99 12.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -87.59 103.12 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.5 mt -97.04 148.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.8 mmtp -116.27 -42.63 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.6 t90 -100.45 138.68 20.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.554 0.692 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.568 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.4 Cg_endo -69.76 -40.9 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.343 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.7 ptmt -113.36 169.15 9.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.4 p -77.89 107.92 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.35 167.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.513 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.5 mp0 -147.84 149.94 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 105' ' ' LEU . 6.7 m -142.3 152.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.96 150.01 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.505 ' O ' ' HB1' ' A' ' 125' ' ' ALA . . . -143.64 110.96 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 100' ' ' LYS . 2.0 m-85 -97.06 161.88 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.979 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.43 161.72 20.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -66.86 -53.35 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -105.37 169.79 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -53.87 -51.42 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.25 -30.15 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -68.45 -50.62 51.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 117' ' ' GLY . . . -69.77 -53.1 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -49.47 -40.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -60.82 -52.37 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -52.14 -54.59 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.453 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.88 -53.43 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.41 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -59.14 -50.9 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.08 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.43 -21.42 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.34 -37.56 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 69.9 m -45.7 -36.54 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 18.8 pt20 -67.81 -35.83 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 80.4 mt -67.14 -37.81 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.3 -33.97 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -67.17 -51.79 49.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.07 96.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.3 m0 -56.92 -32.9 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.18 34.24 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 110' ' ' PRO . 36.1 mt -96.78 -20.95 17.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.84 -63.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.05 -163.04 15.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -44.03 2.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 146' ' ' ARG . 13.4 mtp-105 -107.0 38.58 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 41.12 50.55 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.15 98.56 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.68 173.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.476 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.0 m-85 -124.44 171.15 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 152' ' ' ALA . 5.1 m-20 -67.64 134.59 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.09 -53.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -45.98 -64.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.476 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.6 tttm -44.71 -49.36 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.505 ' HA ' HD12 ' A' ' 158' ' ' LEU . 8.7 m-85 -52.24 -45.86 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 156' ' ' ARG . 0.7 OUTLIER -50.24 -41.47 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.64 -37.36 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 155' ' ' TYR . 44.7 mt -57.78 -52.04 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.5 -45.62 80.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 163' ' ' GLY . 11.7 t0 -45.47 -57.45 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' ASP . 7.5 mtp-105 -37.59 -37.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -82.47 -37.48 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -95.63 -146.72 21.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 78.3 p -150.42 178.09 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 99.62 83.36 1.73 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 156.81 62.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 69.7 m -146.96 144.68 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 t -98.82 42.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -105.3 -21.51 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 t -133.09 104.81 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.67 120.47 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -84.98 -52.45 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 2.2 t -136.85 136.13 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . . . -36.86 -49.18 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.21 142.23 32.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -50.66 108.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -39.05 -42.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -118.12 103.83 10.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 132' ' ' ALA . 52.6 mt -64.59 -48.19 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.1 mt -47.97 -30.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -47.0 -46.77 21.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.42 -37.6 25.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 16.7 m-85 -103.64 94.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.2 Cg_endo -69.78 -45.36 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -125.06 79.09 65.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.5 Cg_endo -69.74 -40.72 5.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -51.84 -35.76 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.62 -35.41 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 tt -63.92 -59.5 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -52.84 -57.6 9.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -54.56 -46.65 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -52.22 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 72' ' ' LEU . 80.8 t -54.1 -74.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 81' ' ' LEU . 61.1 mt -51.69 -32.79 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.431 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.25 -31.07 77.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ttm-85 -86.23 -37.19 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.28 -58.48 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 77' ' ' ILE . 12.0 mt -97.06 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 161.03 125.86 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 14.5 mm -37.25 -41.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.5 m -60.31 -44.24 95.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLY . 52.1 m-70 -71.61 -45.11 63.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.29 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -41.29 -52.52 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -41.88 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -48.57 -45.68 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.416 ' CD2' HG23 ' A' ' 107' ' ' ILE . 77.2 mt -100.01 111.92 24.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.4 t -113.95 139.74 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 126' ' ' GLU . 7.4 m-85 -115.83 117.82 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.0 t -111.13 103.38 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -66.87 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.9 p -116.23 144.34 44.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -101.78 140.36 36.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -169.65 -121.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' LYS . 53.9 Cg_endo -69.74 169.37 19.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' PRO . 2.4 tppp? -36.66 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -86.26 137.33 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.38 140.54 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -120.32 140.53 51.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -125.76 124.47 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.7 m -92.08 102.02 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HB2' ' HB1' ' A' ' 129' ' ' ALA . 32.1 tp -80.95 101.19 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -82.89 102.5 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.416 HG23 ' CD2' ' A' ' 90' ' ' LEU . 13.3 mt -97.44 145.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 21.0 mmtp -113.6 -42.2 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 50.5 t90 -100.39 138.26 20.15 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.618 ' HG3' HD11 ' A' ' 142' ' ' LEU . 54.3 Cg_endo -69.69 -41.13 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.329 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.51 170.53 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -78.01 103.37 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.685 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -133.17 166.67 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.8 mp0 -147.18 141.61 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 105' ' ' LEU . 17.7 m -138.85 164.15 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -108.76 151.18 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -139.17 127.14 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.424 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 8.5 m-85 -99.64 156.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.35 131.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.1 m -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' CE ' ' OD2' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -100.74 165.33 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -49.96 -62.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 124' ' ' ASP . 5.8 tp -51.73 -47.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.5 ' N ' HG23 ' A' ' 123' ' ' ILE . 24.6 m-20 -52.22 -45.86 65.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.424 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -62.72 -65.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 92' ' ' TYR . 53.9 mt-10 -46.64 -40.06 12.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -52.79 -57.37 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -50.12 -47.89 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 105' ' ' LEU . . . -50.09 -52.71 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.13 -49.69 73.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -57.65 -44.42 85.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.485 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -53.41 -31.55 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.51 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.8 m -50.5 -33.3 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -33.66 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.85 -36.69 70.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -66.72 -50.81 61.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.593 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.8 ptmm? -61.09 -37.25 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.3 -42.72 82.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.685 ' HH2' HG21 ' A' ' 113' ' ' VAL . 18.4 m0 -62.69 -30.16 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.66 28.79 3.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 110' ' ' PRO . 36.5 mt -95.95 -33.45 12.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 138' ' ' LYS . 2.6 mt -108.83 -64.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.56 -167.31 14.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.44 6.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -104.05 29.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.0 p30 42.84 52.0 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.58 109.48 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.2 mt -49.9 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -132.96 -175.03 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 150.13 39.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.72 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -53.32 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -44.58 -43.73 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.58 -48.51 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.423 ' NH2' ' HB3' ' A' ' 168' ' ' SER . 58.1 mtp180 -48.65 -38.42 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.18 -40.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.454 HD13 HD23 ' A' ' 142' ' ' LEU . 68.1 mt -56.03 -32.81 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.465 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.87 -33.25 34.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.88 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -42.74 -31.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -85.67 -40.53 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -142.93 115.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.7 p -75.17 175.13 8.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 154.22 -150.61 22.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 130.37 19.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.9 m -117.17 -178.38 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.423 ' HB3' ' NH2' ' A' ' 156' ' ' ARG . 89.7 p -90.45 137.94 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 132' ' ' ALA . 42.0 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 63' ' ' LEU . 23.6 mt -42.9 -41.51 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -41.13 -44.08 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -36.48 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -115.01 87.55 15.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -46.43 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.648 2.232 . . . . 0.0 112.413 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -114.14 74.64 2.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.7 -27.72 26.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -68.1 -35.09 77.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -93.74 -41.0 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 143' ' ' LEU . 4.5 tt -61.94 -58.55 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.493 HD23 HD13 ' A' ' 90' ' ' LEU . 10.6 tp -53.58 -58.1 8.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -50.24 -45.91 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 m -52.85 -38.38 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 137' ' ' PHE . 87.6 t -57.62 -73.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.415 HG23 HD12 ' A' ' 81' ' ' LEU . 57.9 mt -53.97 -32.29 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.51 70.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -90.31 -42.09 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -66.22 -54.35 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 109' ' ' TRP . 11.4 mt -102.61 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.08 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.523 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.1 mt -42.26 -42.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.3 p -59.76 -44.58 93.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.6 m-70 -71.42 -49.65 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 89' ' ' LYS . . . -37.44 -37.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.5 mttp -38.16 -53.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -38.71 42.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 40.4 mmtt -46.32 -44.81 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.493 HD13 HD23 ' A' ' 73' ' ' LEU . 90.6 mt -104.44 107.16 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 t -107.42 140.15 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.63 123.86 48.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -114.82 120.91 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.437 ' CE1' ' CG2' ' A' ' 103' ' ' VAL . 30.1 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 14.4 ttpt -125.45 148.43 48.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 14.0 t -130.49 121.97 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.1 m -96.54 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -80.98 106.4 12.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.431 ' HB3' ' NZ ' ' A' ' 108' ' ' LYS . 20.2 m-70 -89.79 103.02 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.451 HG23 HD23 ' A' ' 90' ' ' LEU . 12.1 mt -95.11 148.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 31.8 mmtm -115.46 -41.84 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.62 ' HH2' HD22 ' A' ' 142' ' ' LEU . 50.0 t90 -100.42 138.51 20.2 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.74 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.338 -0.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.2 ptmt -113.13 169.85 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -77.6 106.25 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -138.02 168.1 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.535 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.0 mp0 -147.4 153.34 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 33.3 m -145.03 159.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -106.43 146.01 31.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.04 118.63 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.413 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 6.0 m-85 -99.16 158.71 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.05 161.61 20.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.4 m -70.2 -55.95 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -101.36 173.28 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -51.09 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 124' ' ' ASP . 6.1 tp -60.61 -43.88 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 123' ' ' ILE . 0.8 OUTLIER -53.87 -49.59 68.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.93 -54.37 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -49.26 -44.56 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -52.48 -57.81 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' ALA . 39.7 mm-40 -47.91 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.35 -63.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -51.08 -50.62 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.2 -35.65 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -63.4 -22.33 66.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.415 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.59 -35.11 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 88.0 m -46.38 -40.38 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' A' ' 62' ' ' LEU . 13.9 pt20 -60.52 -38.24 83.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.96 -42.48 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 76' ' ' VAL . 34.2 m-85 -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -67.0 -52.66 39.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.94 -37.5 94.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.41 ' HH2' HG21 ' A' ' 113' ' ' VAL . 26.8 m0 -61.26 -41.69 97.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.85 27.09 2.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.62 HD22 ' HH2' ' A' ' 109' ' ' TRP . 30.6 mt -99.63 -24.54 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.56 ' CD2' HD21 ' A' ' 72' ' ' LEU . 67.9 mt -104.95 -63.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.25 -173.48 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.6 6.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.242 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.477 ' CB ' ' OE2' ' A' ' 148' ' ' GLU . 21.5 mmm180 -111.69 31.39 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.4 44.67 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.477 ' OE2' ' CB ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 67.4 mt -48.64 175.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 25.5 m-85 -125.99 -176.26 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.19 145.64 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -42.91 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -39.29 -54.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 31.8 tttm -53.83 -48.41 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.463 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 13.7 m-85 -53.82 -41.84 67.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -54.66 -43.32 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.27 -40.57 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.566 HD13 HD23 ' A' ' 142' ' ' LEU . 66.7 mt -56.54 -33.37 66.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.495 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.33 -27.58 29.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.57 -51.47 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -55.97 -23.74 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.84 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 mt -45.95 -39.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -41.4 -42.65 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.81 -35.27 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 17.7 m-85 -112.57 94.11 26.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.75 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -43.3 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.33 78.76 44.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.73 -32.99 17.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -63.61 -33.23 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.54 -44.83 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 tt -55.92 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.503 HD21 HD21 ' A' ' 105' ' ' LEU . 14.2 tp -48.3 -57.47 5.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.87 -44.76 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.3 m -55.17 -42.05 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' LEU . 20.8 t -53.14 -71.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.507 ' CD1' HD21 ' A' ' 90' ' ' LEU . 61.5 mt -55.34 -35.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.98 -26.52 67.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.428 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -91.56 -32.19 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -77.06 -57.32 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.9 mt -99.09 -68.35 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.2 124.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mm -39.05 -32.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -70.12 -54.61 12.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -62.5 -40.52 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -45.21 -39.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 82.2 mttt -36.71 -57.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -44.46 63.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -46.39 -35.73 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 77' ' ' ILE . 31.4 mt -109.15 110.15 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 105' ' ' LEU . 5.4 t -114.43 141.05 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -117.99 115.59 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 108.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.855 0.36 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -132.53 132.05 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -128.62 119.47 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.434 HG23 ' OE1' ' A' ' 116' ' ' GLU . 92.8 m -92.34 109.03 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.503 HD21 HD21 ' A' ' 73' ' ' LEU . 27.5 tp -81.66 108.81 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.469 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 21.6 m-70 -90.57 104.62 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.1 mt -98.9 151.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 45.5 mmtt -118.15 -42.96 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.553 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 35.7 t90 -100.37 138.85 20.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.527 0.679 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.724 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.6 Cg_endo -69.77 -40.73 1.04 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.317 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ptmt -113.7 169.05 9.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -78.41 108.75 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.536 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -142.11 165.9 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -146.4 147.23 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 129' ' ' ALA . 9.7 m -139.11 156.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.434 ' OE1' HG23 ' A' ' 104' ' ' THR . 2.7 mm-40 -99.01 145.3 27.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.66 115.99 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.66 158.95 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.399 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.55 170.4 33.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -76.95 -52.68 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -103.53 170.14 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 123' ' ' ILE . 15.3 ptpt -53.16 -45.02 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' LYS . 6.1 tp -64.51 -37.05 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.96 -44.38 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.66 93.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -63.56 -54.13 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -39.28 -49.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -57.02 -53.54 56.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.473 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -43.34 -54.94 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -59.11 -47.3 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.53 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.24 33.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 98.7 m -46.62 -37.77 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 5.8 pt20 -69.96 -33.21 71.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.3 mt -70.29 -42.37 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -65.27 -48.42 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.498 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.2 ptmm? -65.77 -43.61 88.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.1 -34.8 85.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.536 ' HH2' HG21 ' A' ' 113' ' ' VAL . 27.3 m0 -73.81 -17.66 61.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.51 28.31 8.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.724 HD11 ' HG3' ' A' ' 110' ' ' PRO . 29.0 mt -91.13 -30.99 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 138' ' ' LYS . 2.2 mt -114.97 -66.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.13 -156.09 22.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 10.9 ptt180 -117.06 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 146' ' ' ARG . 4.7 p30 45.59 52.12 9.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.415 ' HG3' ' CG ' ' A' ' 146' ' ' ARG . 8.1 mt-10 -88.94 84.58 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 51.0 mt -44.75 168.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.435 ' CB ' ' HD3' ' A' ' 154' ' ' LYS . 26.2 m-85 -128.23 175.96 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.29 140.05 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.26 10.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.62 -57.91 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 12.9 tttp -52.84 -43.58 66.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.451 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 6.6 m-85 -55.81 -43.55 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.49 -42.07 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.87 -42.28 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.13 -53.71 49.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.52 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.37 -43.6 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 162' ' ' PHE . 7.1 t70 -49.51 -57.87 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -38.63 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 160' ' ' ASP . 64.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -42.75 -35.47 1.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -43.91 -46.93 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.98 -36.93 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 22.8 m-85 -105.9 94.73 9.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.1 Cg_endo -69.75 -43.56 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -125.68 78.52 68.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -39.7 6.11 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 39.5 tttt -54.88 -32.65 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -96.56 -43.78 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.53 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.7 tt -54.3 -58.96 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 tp -53.47 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 70' ' ' LYS . 13.5 m-20 -41.54 -55.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -45.17 -53.33 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 137' ' ' PHE . 56.6 t -38.97 -72.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.73 -35.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.04 -21.7 56.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -97.16 -43.1 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.46 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 109' ' ' TRP . 13.5 mt -97.75 -67.17 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.53 124.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.413 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 62.8 mt -37.07 -47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.19 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -53.62 -55.04 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.6 m-70 -62.71 -49.44 75.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.61 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' HIS . 17.4 ttpp -36.35 -61.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.51 -44.53 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -39.12 -34.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.88 101.63 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.96 138.33 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.5 m-85 -116.11 117.22 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.9 t -108.23 110.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.495 ' CE1' ' CG2' ' A' ' 103' ' ' VAL . 36.6 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HE3' ' CD ' ' A' ' 116' ' ' GLU . 29.3 tttt -125.62 132.31 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.495 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 13.0 t -123.53 113.93 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 47.2 m -92.51 105.52 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 92' ' ' TYR . 30.0 tp -81.05 104.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -87.13 104.58 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.3 mt -99.9 148.51 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 36.0 mmtt -115.72 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 55.2 t90 -100.51 138.44 20.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.77 -41.21 0.94 Allowed 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 -0.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.85 170.5 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 m -79.23 107.88 12.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 114' ' ' GLU . 4.1 t -141.44 166.32 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.518 ' N ' HG12 ' A' ' 113' ' ' VAL . 2.8 mp0 -145.83 144.37 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 129' ' ' ALA . 18.7 m -134.88 152.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' CD ' ' HE3' ' A' ' 102' ' ' LYS . 5.8 mm-40 -99.98 143.51 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.411 ' HA3' ' HB2' ' A' ' 129' ' ' ALA . . . -130.94 109.74 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 6.3 m-85 -94.63 160.03 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.69 144.99 4.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 m -54.03 -50.57 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -175.18 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -79.34 -19.87 49.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -82.24 -30.52 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -31.89 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.28 -45.6 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -63.32 -46.0 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -54.49 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -42.13 -54.35 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.546 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -47.18 -54.18 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -57.3 -46.12 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.29 -46.84 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.46 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -52.8 -23.56 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.096 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.52 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.05 -43.2 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -61.48 -31.07 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.37 -37.01 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.717 ' CD2' HG11 ' A' ' 76' ' ' VAL . 11.1 m-85 -74.56 -27.71 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.12 -51.04 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.96 -41.69 95.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -56.81 -22.5 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.34 36.5 6.22 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' ' 110' ' ' PRO . 44.6 mt -100.04 -25.64 14.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -116.96 -63.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.56 -168.74 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -35.74 12.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -102.74 28.16 6.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 42.06 49.77 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.21 126.12 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.92 176.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.422 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -130.53 178.19 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.3 OUTLIER -71.49 128.93 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.94 -42.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.12 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 13.5 tttp -46.21 -43.74 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.8 -51.2 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -47.34 -36.56 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.88 -42.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 142' ' ' LEU . 38.0 mt -54.0 -32.24 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.04 -29.53 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -61.82 -48.31 81.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -52.09 -28.5 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 132' ' ' ALA . 25.1 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.839 0.352 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.8 mt -47.48 -39.03 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -41.43 -44.86 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.16 -36.14 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 29.7 m-85 -107.74 92.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.0 Cg_endo -69.74 -39.82 6.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -125.28 74.91 68.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.5 Cg_endo -69.8 -33.51 16.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.98 -39.94 91.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -90.29 -45.33 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -52.98 -50.89 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.16 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -49.12 -51.76 30.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -47.1 -37.92 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 72' ' ' LEU . 59.4 t -56.55 -74.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 81' ' ' LEU . 54.1 mt -55.24 -32.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.13 -22.5 70.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -96.31 -36.77 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.57 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 109' ' ' TRP . 10.0 mt -95.75 -66.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.18 124.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mm -38.59 -37.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -63.06 -49.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -66.49 -47.61 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.29 -39.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.7 tttp -37.31 -60.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -42.77 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -44.0 -40.63 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.11 111.65 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.92 142.22 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.408 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.7 m-85 -118.39 121.34 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.41 109.95 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -122.39 135.21 54.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.84 117.82 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.3 m -95.37 108.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.468 ' HB3' HG23 ' A' ' 115' ' ' VAL . 23.6 tp -82.95 107.49 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -90.1 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.1 mt -99.79 149.43 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 20.2 mmtp -116.86 -41.95 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.553 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 45.4 t90 -100.39 138.62 20.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -40.63 1.06 Allowed 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.359 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.9 169.62 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.4 p -77.53 107.6 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.509 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.18 167.21 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.509 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.9 mp0 -147.86 150.84 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 105' ' ' LEU . 16.9 m -140.91 152.64 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -103.53 140.99 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.98 129.68 6.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.35 157.22 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.92 178.12 40.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 t -91.4 -47.43 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 165.77 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.22 -27.94 62.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.412 ' CG1' ' HE ' ' A' ' 127' ' ' ARG . 7.3 tp -83.01 -31.04 8.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.07 -50.9 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.26 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.34 -50.51 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.412 ' HE ' ' CG1' ' A' ' 123' ' ' ILE . 40.3 mtt-85 -53.17 -49.56 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -51.73 -61.2 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.64 -61.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.47 -54.3 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.07 -44.21 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.03 -24.19 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.49 -40.08 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 91.4 m -42.68 -41.1 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.85 -38.57 79.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.19 -45.92 82.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 142' ' ' LEU . 21.5 m-85 -63.05 -29.65 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -72.69 -47.37 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.32 -45.55 93.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -56.3 -37.28 69.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.97 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.53 HD11 ' HG3' ' A' ' 110' ' ' PRO . 37.1 mt -95.97 -29.42 14.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.91 -61.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.74 -164.37 14.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -101.7 33.26 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m120 43.73 51.68 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.64 166.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.46 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 47.8 m-85 -115.83 178.66 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -70.96 132.58 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -36.22 -45.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -51.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 16.1 tttp -46.16 -44.5 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -53.05 -51.16 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.12 -42.7 29.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 76.3 t -74.48 -45.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.517 HD13 HD23 ' A' ' 142' ' ' LEU . 41.6 mt -48.94 -50.16 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.499 ' HB2' ' CE2' ' A' ' 109' ' ' TRP . . . -61.11 -58.98 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -43.37 -48.14 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -45.69 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -45.39 -38.78 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -42.69 -41.43 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.12 -39.34 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 17.1 m-85 -105.24 95.81 10.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.493 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.7 Cg_endo -69.78 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.5 pm0 -122.9 79.92 50.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.465 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.73 -38.35 7.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -59.36 -36.89 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -88.73 -42.07 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.5 tt -58.99 -69.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 105' ' ' LEU . 11.8 tp -41.86 -56.97 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -51.38 -53.91 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.26 -43.13 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG11 ' HD2' ' A' ' 137' ' ' PHE . 58.7 t -51.93 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CD1' HD21 ' A' ' 90' ' ' LEU . 48.1 mt -54.15 -34.87 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.432 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.24 -26.85 64.39 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -92.68 -42.98 9.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.27 -59.79 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.538 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -96.93 -65.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.35 122.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 6.9 mm -37.13 -38.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -60.63 -50.62 72.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.93 -35.97 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -29.57 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -38.47 -61.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.32 -45.97 52.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -37.04 -40.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 77' ' ' ILE . 60.6 mt -115.09 108.33 16.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.0 t -110.84 144.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.7 m-85 -119.19 119.71 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.4 t -110.85 111.77 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -136.66 146.86 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.2 t -133.09 120.61 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.451 HG22 ' HD2' ' A' ' 106' ' ' HIS . 65.2 m -94.93 108.62 20.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 73' ' ' LEU . 24.0 tp -83.1 105.1 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.451 ' HD2' HG22 ' A' ' 104' ' ' THR . 4.6 m-70 -89.29 103.58 16.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 90' ' ' LEU . 13.7 mt -97.64 149.21 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 35.8 mmtt -116.59 -42.13 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 51.5 t90 -100.46 138.54 20.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.9 Cg_endo -69.73 -40.97 0.98 Allowed 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.37 -0.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.3 ptmt -113.31 169.83 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 m -78.89 105.93 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 114' ' ' GLU . 2.8 t -139.56 164.31 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' N ' HG12 ' A' ' 113' ' ' VAL . 5.2 mp0 -143.77 151.88 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 129' ' ' ALA . 28.4 m -141.86 153.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 134.91 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.59 115.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.78 161.14 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.9 162.07 20.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 m -72.1 -54.39 9.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -101.02 163.43 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -43.94 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.9 tp -63.71 -35.55 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.11 -49.02 48.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.42 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.36 -58.04 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 68' ' ' GLN . 26.9 mtp85 -39.27 -55.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.48 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -39.06 -59.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -50.95 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.15 -46.26 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -51.28 -26.42 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.84 -32.12 15.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 86.2 m -50.0 -33.42 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -68.49 -38.03 80.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.18 -46.18 74.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.472 ' HD2' HG11 ' A' ' 76' ' ' VAL . 9.5 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.71 82.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -62.58 -31.23 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.98 33.16 3.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.818 HD23 HD13 ' A' ' 158' ' ' LEU . 35.3 mt -98.29 -13.15 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.436 HD21 ' CG2' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -126.9 -69.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 126.7 -161.73 20.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -99.66 31.36 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . 0.404 ' HB3' HD11 ' A' ' 72' ' ' LEU . 27.4 m-20 40.92 54.78 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.42 123.69 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.39 148.54 45.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.518 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 30.2 m-85 -100.81 -179.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.7 159.42 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.97 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.94 -56.59 9.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.518 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -51.62 -47.72 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -50.76 -47.75 59.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -50.78 -44.22 58.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.26 -38.75 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.818 HD13 HD23 ' A' ' 142' ' ' LEU . 43.1 mt -59.42 -33.64 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -82.55 -28.83 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.09 -56.33 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -43.98 -27.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 132' ' ' ALA . 43.4 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.852 0.358 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.72 -39.57 3.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -39.82 -42.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.7 -41.92 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 15.8 m-85 -103.1 95.86 7.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.4 Cg_endo -69.77 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -127.82 80.45 72.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.1 Cg_endo -69.66 -35.81 12.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.23 . . . . 0.0 112.401 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.61 -43.43 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -84.48 -45.81 12.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.4 tt -55.42 -65.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 90' ' ' LEU . 13.4 tp -44.12 -58.2 2.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -51.9 -50.26 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -48.57 -38.08 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG2' HD21 ' A' ' 143' ' ' LEU . 48.7 t -56.65 -72.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.538 ' CG2' HD12 ' A' ' 81' ' ' LEU . 48.4 mt -56.2 -35.2 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.468 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -59.64 -26.96 63.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -89.46 -37.89 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.56 -59.89 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 77' ' ' ILE . 11.2 mt -95.52 -61.6 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.68 131.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.468 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 21.6 mt -43.63 -37.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.5 m -61.74 -54.11 46.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -63.43 -46.47 86.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -40.42 -41.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.8 ttmm -36.22 -58.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -72.52 -51.17 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ASP . 47.4 mmtt -34.99 -40.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.528 HD13 HD23 ' A' ' 73' ' ' LEU . 58.6 mt -105.83 114.3 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 t -115.46 140.39 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -115.08 121.77 44.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.13 108.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 6.7 ttpm? -120.98 155.26 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.7 t -139.81 119.86 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.3 m -93.14 106.16 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 23.7 tp -80.99 104.48 11.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -84.92 103.26 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 133' ' ' ALA . 11.2 mt -97.66 145.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.1 mmtp -112.97 -42.32 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.9 t90 -100.37 138.41 20.19 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.2 Cg_endo -69.73 -40.91 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.366 -0.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.93 170.5 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -77.99 104.15 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.732 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -135.11 169.06 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.564 ' H ' HG12 ' A' ' 113' ' ' VAL . 2.9 mp0 -148.11 145.65 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.482 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 17.6 m -138.7 154.5 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -100.88 145.87 28.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.43 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -133.94 116.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 2.9 m-85 -95.8 163.66 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.11 140.51 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 t -53.68 -39.95 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -115.24 -179.19 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -66.22 -57.67 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 tp -53.66 -25.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -41.3 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.05 92.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.11 -49.65 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -46.99 -51.07 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.4 -51.42 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.464 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.84 -54.91 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -56.42 -50.41 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -45.86 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -52.88 -26.2 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.528 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -89.71 -36.1 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.542 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 93.2 m -47.73 -35.5 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -31.88 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 71.3 mt -71.48 -40.38 70.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.408 ' CD2' HD13 ' A' ' 142' ' ' LEU . 15.0 m-85 -65.72 -49.97 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.42 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.7 ptmm? -62.37 -42.29 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.26 -35.96 92.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.732 ' HH2' HG21 ' A' ' 113' ' ' VAL . 20.4 m0 -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.03 29.19 4.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 150' ' ' PHE . 34.3 mt -94.67 -37.5 11.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 76' ' ' VAL . 4.5 mt -108.05 -65.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.4 -162.45 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -43.08 2.89 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -97.66 29.65 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.5 p30 41.18 47.48 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -94.15 133.99 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.64 169.14 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.4 m-85 -122.65 -176.04 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.82 130.97 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.07 -48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.12 -54.58 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.452 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 20.9 tttt -54.7 -40.4 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -58.95 -48.96 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -50.17 -41.18 48.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.12 -43.38 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' A' ' 154' ' ' LYS . 53.8 mt -54.38 -47.24 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.504 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -59.56 -41.48 90.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -48.5 -53.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.7 mtp85 -42.16 -30.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.441 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 64.6 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 132' ' ' ALA . 36.5 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.85 -41.89 62.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.84 -43.42 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -85.98 -37.93 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 17.6 m-85 -109.97 99.25 38.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' O ' ' NH2' ' A' ' 127' ' ' ARG . 54.3 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -123.14 74.46 49.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.547 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.4 Cg_endo -69.74 -33.7 16.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -38.72 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -91.32 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.8 tt -43.52 -52.78 5.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.409 HD21 HD21 ' A' ' 105' ' ' LEU . 13.9 tp -51.39 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.601 ' ND2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -43.94 -52.17 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.601 ' N ' ' ND2' ' A' ' 74' ' ' ASN . 8.3 m -46.58 -34.97 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 72' ' ' LEU . 45.5 t -61.12 -72.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.502 HG22 ' HB2' ' A' ' 86' ' ' ALA . 63.5 mt -55.06 -34.26 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.06 -37.45 91.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -77.66 -41.7 37.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.95 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 89' ' ' LYS . 11.0 mt -104.35 -69.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.39 126.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.807 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.3 mp -41.2 -32.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 m -66.22 -52.89 43.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.9 m-70 -65.79 -58.16 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.502 ' HB2' HG22 ' A' ' 77' ' ' ILE . . . -34.81 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 38.2 mtpt -36.16 -48.43 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -48.32 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.655 ' HD2' HD12 ' A' ' 81' ' ' LEU . 14.9 mttm -42.63 -48.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 77' ' ' ILE . 38.2 mt -90.03 108.05 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.9 t -113.21 142.72 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.474 ' CE1' HD13 ' A' ' 105' ' ' LEU . 5.9 m-85 -118.76 112.64 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.54 113.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.918 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.6 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.459 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.8 ttpm? -128.82 150.74 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.55 115.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.7 m -92.72 106.57 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.46 107.53 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -88.99 106.58 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.14 146.07 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.0 mmtp -113.09 -43.28 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 61.3 t90 -100.57 138.5 20.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.561 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.9 Cg_endo -69.77 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.347 -0.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -112.86 169.29 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.1 p -80.04 103.49 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -135.75 170.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.606 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.5 mp0 -148.1 150.72 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 129' ' ' ALA . 26.8 m -140.15 151.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -100.05 144.6 28.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HB1' ' A' ' 125' ' ' ALA . . . -131.7 119.83 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 6.5 m-85 -98.03 153.11 18.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.85 158.8 14.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 t -69.52 -46.94 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.994 0.426 . . . . 0.0 110.855 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.53 169.65 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -56.33 -41.93 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.65 -30.19 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.24 -47.42 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 117' ' ' GLY . . . -74.44 -40.8 61.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.01 -45.52 82.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 67' ' ' PRO . 44.3 mtp180 -57.7 -52.13 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -51.96 -54.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.33 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.95 -54.12 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.45 -43.91 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.506 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.87 -23.08 28.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.28 -38.62 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.0 m -45.35 -41.96 9.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.487 ' OE1' HD21 ' A' ' 62' ' ' LEU . 8.8 pt20 -60.24 -36.81 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 79.9 mt -66.18 -43.25 87.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.44 ' CD2' HG11 ' A' ' 76' ' ' VAL . 22.8 m-85 -65.72 -34.7 78.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -69.01 -48.02 64.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.0 97.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -59.48 -24.6 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.0 33.03 5.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.561 HD11 ' HG3' ' A' ' 110' ' ' PRO . 29.8 mt -96.51 -17.18 20.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 149' ' ' LEU . 8.6 mt -118.71 -67.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.28 -162.87 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.28 34.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 39.96 53.77 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.25 121.03 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 143' ' ' LEU . 40.0 mt -57.98 151.45 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.546 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 17.0 m-85 -103.4 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.63 159.34 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.74 80.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.32 -53.75 40.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -54.69 -44.85 73.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -56.24 -47.63 78.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -51.1 -33.08 24.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.49 -38.66 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 142' ' ' LEU . 65.6 mt -58.24 -28.67 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -86.02 -32.11 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.97 -53.01 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -41.31 -32.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.39 -41.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -86.96 -37.66 17.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 13.1 m-85 -105.3 94.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.1 Cg_endo -69.67 -43.82 2.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.375 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -123.3 76.69 52.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.533 0.682 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.27 29.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -65.33 -43.93 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 m120 -87.09 -33.24 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -61.29 -68.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 tp -46.29 -58.2 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -55.06 -42.4 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.5 m -57.68 -45.57 85.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 72' ' ' LEU . 43.2 t -50.22 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.713 ' CG2' HD12 ' A' ' 81' ' ' LEU . 63.4 mt -53.81 -36.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.432 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -27.41 59.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.71 -44.21 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.77 64.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.713 HD12 ' CG2' ' A' ' 77' ' ' ILE . 8.0 mt -105.58 -66.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 84' ' ' SER . . . 158.06 124.62 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 15.6 mm -33.83 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' GLY . 3.8 m -62.39 -54.33 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' LYS . 94.7 m-70 -62.51 -58.96 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -36.3 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' HIS . 28.4 ttmt -46.03 -51.04 14.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' LEU . 21.0 t0 -83.95 -51.29 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 6.2 mtpp -39.59 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' ASP . 88.6 mt -119.71 99.7 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.92 146.56 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 4.0 m-85 -118.51 119.12 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -103.16 111.03 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HE2' ' CD ' ' A' ' 116' ' ' GLU . 22.0 tttm -131.16 128.75 40.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.0 t -125.64 121.38 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -96.69 105.29 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.3 tp -80.98 102.61 10.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -83.2 103.01 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 133' ' ' ALA . 13.0 mt -96.44 148.26 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.0 mmtp -116.39 -41.07 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CD1' HD11 ' A' ' 81' ' ' LEU . 54.6 t90 -100.39 138.08 20.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.533 0.683 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -41.19 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.346 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.8 ptmt -113.11 171.39 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 m -77.2 101.35 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.634 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -132.17 165.7 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.473 ' H ' HG12 ' A' ' 113' ' ' VAL . 2.7 mp0 -147.2 142.8 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 129' ' ' ALA . 25.9 m -134.68 161.95 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.431 ' CD ' ' HE2' ' A' ' 102' ' ' LYS . 60.3 mm-40 -107.02 151.26 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.92 118.7 1.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.407 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 11.9 m-85 -105.21 162.01 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.98 170.96 34.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 m -67.84 -55.11 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -104.94 -178.04 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -63.38 -45.74 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -61.48 -39.38 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -62.83 -47.71 82.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.407 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 127' ' ' ARG . 24.1 mt-10 -60.56 -61.99 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' GLU . 23.5 mtp85 -35.64 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.72 -47.93 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.573 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -50.72 -50.87 54.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.64 97.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.71 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.27 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -90.26 -37.11 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.6 m -45.21 -38.85 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -35.67 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.47 -37.42 82.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.33 -53.18 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.626 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.1 ptmm? -61.14 -37.49 83.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.84 -43.77 90.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.634 ' HH2' HG21 ' A' ' 113' ' ' VAL . 19.1 m0 -62.62 -26.96 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.41 33.68 2.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 158' ' ' LEU . 38.6 mt -96.2 -33.96 11.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.3 OUTLIER -113.27 -63.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.13 -160.88 18.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -95.52 29.55 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 40.61 45.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.32 124.69 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.427 ' CD2' HG22 ' A' ' 76' ' ' VAL . 65.7 mt -65.54 173.54 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.457 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 25.3 m-85 -124.74 177.6 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -71.5 138.48 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -39.05 -50.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.401 ' HA ' ' NH2' ' A' ' 156' ' ' ARG . . . -49.32 -60.79 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.457 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 24.7 tttm -49.2 -42.03 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.57 -46.8 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 153' ' ' ALA . 29.3 mtm105 -53.23 -39.55 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.59 -36.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 142' ' ' LEU . 46.1 mt -60.31 -50.56 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.433 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -57.03 -34.25 68.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.98 -46.56 71.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -28.51 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.408 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 42.4 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 132' ' ' ALA . 31.0 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 mt -43.5 -40.68 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -40.75 -40.46 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -86.26 -39.18 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 24.2 m-85 -105.56 106.21 55.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.9 Cg_endo -69.81 -47.83 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.8 pm0 -125.7 83.07 62.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -51.12 -30.51 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.2 -49.24 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.622 HD21 HD22 ' A' ' 143' ' ' LEU . 5.9 tt -54.64 -54.61 39.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD23 HD13 ' A' ' 90' ' ' LEU . 11.2 tp -53.83 -57.16 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.88 -49.66 62.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.5 m -49.65 -40.87 41.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG11 ' HD2' ' A' ' 137' ' ' PHE . 88.2 t -53.78 -69.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CD1' HD21 ' A' ' 90' ' ' LEU . 37.2 mt -58.86 -33.01 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.6 -21.76 60.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -94.6 -44.29 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -65.77 -58.93 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 77' ' ' ILE . 12.1 mt -95.41 -65.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.94 129.16 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.6 mm -39.84 -38.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.0 m -60.81 -56.65 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -61.53 -44.67 96.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.63 -42.47 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -38.63 -53.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -45.6 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -43.83 -47.73 8.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 77' ' ' ILE . 37.0 mt -98.92 111.35 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -113.21 141.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.578 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -114.74 115.85 27.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.7 t -100.64 107.85 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.4 mttp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -133.76 131.1 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.74 118.57 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.0 m -94.78 108.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.16 106.81 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.543 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.0 m-70 -88.7 104.49 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.53 HG23 ' CD2' ' A' ' 90' ' ' LEU . 15.6 mt -98.45 148.57 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.6 mmtp -115.74 -41.77 3.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.3 t90 -100.3 138.23 20.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.1 Cg_endo -69.78 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.333 -0.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.7 169.63 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.4 p -78.03 108.81 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -142.56 167.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.2 mp0 -147.93 149.84 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 129' ' ' ALA . 18.2 m -138.07 157.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.64 141.43 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -128.4 108.87 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.34 158.07 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.993 0.425 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.79 154.19 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 t -67.97 -44.43 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -103.66 159.84 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -57.71 -28.62 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.6 tp -78.27 -28.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.55 -39.98 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.66 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.04 -50.86 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -49.65 -51.4 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -53.31 -58.12 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.574 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -38.49 -58.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -54.76 -55.55 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.57 -41.95 43.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -56.13 -30.41 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.509 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -86.43 -29.31 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.4 m -51.61 -45.03 63.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -58.03 -30.94 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.14 -42.35 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.611 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.0 m-85 -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.34 -53.51 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.11 -37.18 94.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -60.73 -30.8 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.91 4.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 110' ' ' PRO . 41.1 mt -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.622 HD22 HD21 ' A' ' 72' ' ' LEU . 9.9 mt -104.01 -63.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.55 -166.57 12.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.15 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -102.89 33.38 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.6 m120 40.51 52.22 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -99.96 98.02 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 81.2 mt -44.02 159.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.09 -175.47 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.63 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.629 ' HB1' ' NH1' ' A' ' 156' ' ' ARG . . . -61.92 -30.32 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -70.48 -55.75 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -53.25 -33.35 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.447 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 4.1 m-85 -62.42 -53.81 49.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.629 ' NH1' ' HB1' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -50.71 -41.11 55.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.94 -39.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.402 HD13 HD23 ' A' ' 142' ' ' LEU . 33.9 mt -56.99 -53.08 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.484 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -51.17 -42.27 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -48.46 -48.04 37.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -49.81 -27.99 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 132' ' ' ALA . 24.1 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.7 -35.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -43.9 -44.81 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -84.17 -38.15 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 25.3 m-85 -106.28 99.62 24.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.3 Cg_endo -69.84 -44.4 2.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -123.81 78.96 56.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.91 30.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -69.53 -39.98 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -89.23 -40.13 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.749 HD21 ' ND2' ' A' ' 147' ' ' ASN . 5.5 tt -58.29 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD23 HD13 ' A' ' 90' ' ' LEU . 13.2 tp -56.74 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -50.49 -41.36 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -28.73 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.64 ' CG2' HD21 ' A' ' 143' ' ' LEU . 92.6 t -66.06 -75.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 90' ' ' LEU . 54.7 mt -51.96 -35.85 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -30.59 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -86.96 -41.42 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.05 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -97.33 -69.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 165.39 121.7 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.467 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.5 mm -35.59 -36.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -64.71 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' GLY . 94.8 m-70 -68.81 -41.74 78.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -43.17 -36.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 34.6 tptt -37.66 -53.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -42.6 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -43.6 -43.77 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.604 ' CD2' HG23 ' A' ' 107' ' ' ILE . 30.4 mt -106.67 108.87 20.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.76 138.52 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CE1' HD13 ' A' ' 105' ' ' LEU . 5.5 m-85 -116.19 121.01 40.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.1 t -112.17 116.89 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -119.57 130.55 55.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.17 123.52 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.2 m -97.94 106.6 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 92' ' ' TYR . 26.0 tp -81.44 102.77 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.15 100.94 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -95.51 148.84 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 37.9 mmtt -117.52 -43.07 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.551 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 37.6 t90 -100.67 138.65 20.15 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.527 0.68 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.732 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.2 Cg_endo -69.8 -41.8 0.85 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -111.35 169.53 8.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.4 m -80.0 107.15 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 114' ' ' GLU . 2.8 t -140.69 164.58 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.448 ' N ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -145.42 146.18 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 m -137.45 157.54 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.71 144.48 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.16 112.47 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -97.42 167.71 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.91 164.67 24.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.5 m -61.04 -57.66 11.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -106.63 178.68 4.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.03 -27.86 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 tp -75.66 -31.26 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.41 -38.98 48.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.96 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.37 -57.07 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -41.88 -56.29 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -49.97 -56.36 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.51 -56.7 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.53 -54.98 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.38 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -57.93 -22.69 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.402 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.71 -33.52 14.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.9 m -49.39 -33.05 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 7.5 pt20 -71.51 -31.79 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 93.0 mt -71.69 -44.79 63.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.539 ' CD2' HG11 ' A' ' 76' ' ' VAL . 27.1 m-85 -59.74 -51.68 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -34.89 78.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.18 72.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -80.75 -23.08 39.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.48 26.53 5.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 158' ' ' LEU . 27.0 mt -100.03 -28.36 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.64 HD21 ' CG2' ' A' ' 76' ' ' VAL . 88.5 mt -111.24 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 117.83 -170.21 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.52 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.7 7.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -107.88 35.36 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . 0.749 ' ND2' HD21 ' A' ' 72' ' ' LEU . 3.7 t-20 40.26 54.49 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -99.04 109.33 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 43.5 mt -57.57 179.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 149' ' ' LEU . 22.4 m-85 -138.93 165.76 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.21 156.27 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.07 -29.58 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.71 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -53.62 -35.33 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -64.91 -47.99 75.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -50.67 -36.06 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.37 -38.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.774 HD13 HD23 ' A' ' 142' ' ' LEU . 39.5 mt -56.3 -51.86 66.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.63 -49.12 75.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 161' ' ' ARG . 10.7 t70 -41.23 -60.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 160' ' ' ASP . 56.6 mtp180 -35.22 -36.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 160' ' ' ASP . 42.1 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 132' ' ' ALA . 47.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.68 -42.03 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -41.8 -43.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.81 -47.4 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -102.71 96.66 7.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.92 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -119.68 75.32 18.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.51 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.0 Cg_endo -69.77 -23.8 30.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -67.62 -33.98 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -95.66 -40.18 9.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.98 -67.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD23 HD13 ' A' ' 90' ' ' LEU . 11.2 tp -42.38 -58.12 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -50.99 -53.26 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -48.21 -47.15 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.5 HG11 ' HD2' ' A' ' 137' ' ' PHE . 58.6 t -46.39 -72.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.443 ' CG2' HD12 ' A' ' 81' ' ' LEU . 57.6 mt -56.87 -34.48 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.76 -29.6 72.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -87.68 -35.61 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.13 -55.03 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD21 ' CD1' ' A' ' 109' ' ' TRP . 12.4 mt -100.74 -61.45 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.41 128.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.738 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.3 mp -39.95 -36.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -60.88 -54.33 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.0 m-70 -64.68 -47.96 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -35.56 -33.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' HIS . 67.3 mttt -39.91 -64.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 25.8 t70 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . 22.0 mmtm -36.39 -38.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD13 HD23 ' A' ' 73' ' ' LEU . 82.9 mt -114.74 106.82 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.92 139.24 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -114.56 121.87 44.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -107.77 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.81 0.338 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -126.92 136.78 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.499 HG21 ' HG2' ' A' ' 126' ' ' GLU . 17.5 t -131.7 118.79 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.6 m -96.54 106.31 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.406 ' HB3' HG23 ' A' ' 115' ' ' VAL . 17.4 tp -80.97 104.62 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.456 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 7.2 m-70 -86.41 105.28 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 14.5 mt -99.05 149.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 34.5 mmtt -117.74 -42.76 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 40.0 t90 -100.5 138.39 20.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.661 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.5 Cg_endo -69.72 -41.15 0.95 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.309 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 6.2 ptmt -113.15 169.9 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 m -79.19 107.74 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.73 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -139.94 167.86 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.527 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -147.48 147.48 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 105' ' ' LEU . 15.8 m -139.39 150.93 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.96 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -136.0 117.66 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 2.2 m-85 -107.4 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 165.53 144.25 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.75 -49.25 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HD3' ' CG ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -99.84 -176.44 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -70.01 -43.99 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 127' ' ' ARG . 1.4 tp -62.66 -43.95 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.482 ' CB ' ' HA3' ' A' ' 119' ' ' GLY . 19.2 m-20 -55.88 -37.11 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.423 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -66.51 -72.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HG2' HG21 ' A' ' 103' ' ' VAL . 11.9 mt-10 -54.05 -37.81 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 123' ' ' ILE . 40.0 ttp180 -58.51 -40.79 83.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.5 -48.03 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.1 -50.68 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.07 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -63.01 -36.86 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.466 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -62.39 -22.06 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.23 -38.2 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.2 m -45.13 -36.75 3.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 13.7 pt20 -68.06 -32.88 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 92.7 mt -70.67 -36.68 73.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.5 ' HD2' HG11 ' A' ' 76' ' ' VAL . 16.1 m-85 -67.89 -49.66 60.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.638 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.9 ptmm? -63.09 -46.8 85.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.17 -38.85 95.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.73 ' HH2' HG21 ' A' ' 113' ' ' VAL . 25.5 m0 -66.45 -24.41 66.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.4 27.89 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.661 HD11 ' HG3' ' A' ' 110' ' ' PRO . 35.5 mt -93.3 -30.47 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -116.63 -58.85 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.12 -163.89 14.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -36.34 10.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -103.7 29.3 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.02 46.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.04 125.72 37.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.91 174.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.487 ' CE2' ' O ' ' A' ' 142' ' ' LEU . 24.8 m-85 -133.88 179.17 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.76 131.86 44.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -40.06 -40.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.24 -59.19 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.4 ' HA ' HD12 ' A' ' 158' ' ' LEU . 8.1 m-85 -53.16 -48.83 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -51.13 -42.77 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 66.0 t -74.89 -38.72 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 155' ' ' TYR . 59.7 mt -56.27 -54.55 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.485 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.62 -36.07 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.32 -41.54 84.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -56.07 -13.88 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 132' ' ' ALA . 43.8 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -46.95 -35.72 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.54 -40.0 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.44 -35.36 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 6.8 m-85 -108.43 94.11 12.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.9 Cg_endo -69.73 -40.4 5.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -126.18 79.4 69.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.545 0.688 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -23.8 30.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -80.65 -33.42 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.0 tt -64.95 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.536 HD23 HD13 ' A' ' 90' ' ' LEU . 13.1 tp -48.41 -58.17 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -52.65 -46.43 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -52.97 -43.04 66.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG11 ' CD2' ' A' ' 137' ' ' PHE . 96.4 t -51.37 -74.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.65 -31.51 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.48 -33.54 71.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -85.65 -45.84 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.404 HD11 ' CD1' ' A' ' 109' ' ' TRP . 12.5 mt -107.55 -69.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.03 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 83' ' ' ILE . 4.5 mp -39.84 -38.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.1 p -61.7 -52.44 64.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -66.37 -44.37 83.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.3 -33.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -41.66 -58.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -43.96 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -41.64 -41.37 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.536 HD13 HD23 ' A' ' 73' ' ' LEU . 39.2 mt -107.94 112.93 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.6 t -114.91 143.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.51 119.12 32.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.79 120.22 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -128.77 129.7 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -121.78 128.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.5 m -103.2 109.34 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 115' ' ' VAL . 18.1 tp -81.08 111.2 17.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -92.95 104.69 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 90' ' ' LEU . 17.1 mt -99.29 145.75 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 43.6 mmtt -114.33 -42.41 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.551 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 51.4 t90 -100.82 138.88 20.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.513 0.673 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.677 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.2 Cg_endo -69.78 -41.32 0.93 Allowed 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.284 -0.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.8 ptmt -112.02 169.77 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -80.46 109.39 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 114' ' ' GLU . 5.6 t -144.03 166.57 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.542 ' N ' HG12 ' A' ' 113' ' ' VAL . 4.9 mp0 -144.34 153.4 41.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 129' ' ' ALA . 20.5 m -144.34 158.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -102.88 150.28 23.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -141.41 108.01 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -96.31 167.11 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.66 160.53 18.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.6 m -64.05 -44.1 93.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.945 0.403 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -114.3 -179.56 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.5 -44.78 93.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.519 HG23 ' OD1' ' A' ' 124' ' ' ASP . 3.9 tp -63.37 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.519 ' OD1' HG23 ' A' ' 123' ' ' ILE . 3.7 m-20 -63.38 -43.54 97.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.98 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.67 -48.89 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -51.1 -44.03 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.98 -56.08 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.431 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -40.35 -51.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.52 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.76 -42.97 37.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.08 -27.53 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.79 -34.36 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 80.5 m -46.48 -38.0 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -34.32 75.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -39.01 81.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.417 ' CD2' HG11 ' A' ' 76' ' ' VAL . 14.8 m-85 -66.6 -51.79 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.698 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.8 ptmm? -60.1 -39.6 86.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.41 97.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 26.0 m0 -69.05 -25.45 64.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.76 30.73 4.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.677 HD11 ' HG3' ' A' ' 110' ' ' PRO . 30.8 mt -95.61 -24.98 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -119.33 -68.87 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 130.19 -163.21 23.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.11 5.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -99.3 28.59 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 15.2 p30 41.37 48.91 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -98.8 133.73 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.81 179.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 19.3 m-85 -130.97 -174.25 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.8 OUTLIER -81.12 130.54 35.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.03 -46.44 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.59 -60.17 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.415 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 11.1 tttp -49.84 -42.68 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -57.3 -45.0 84.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -54.07 -39.77 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.3 t -78.4 -43.59 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.583 HD13 HD23 ' A' ' 142' ' ' LEU . 50.3 mt -51.87 -33.85 38.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.482 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.11 -31.88 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.21 -58.09 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -41.39 -31.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' A' ' 110' ' ' PRO . 66.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 132' ' ' ALA . 27.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 mt -42.97 -36.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -43.88 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.72 -35.58 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 9.2 m-85 -110.33 98.13 34.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.0 Cg_endo -69.75 -45.22 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.378 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -124.1 79.02 59.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.2 Cg_endo -69.8 -37.3 9.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -60.16 -34.53 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -92.43 -41.14 10.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.9 tt -59.6 -56.36 22.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.64 -56.51 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -50.74 -56.87 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.46 -49.21 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.541 HG21 HD21 ' A' ' 143' ' ' LEU . 62.2 t -48.38 -73.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.603 ' CD1' HD21 ' A' ' 90' ' ' LEU . 67.4 mt -51.67 -35.26 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.34 99.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.25 -36.7 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -66.82 -59.78 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 109' ' ' TRP . 7.5 mt -101.98 -69.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 169.54 126.78 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.0 mp -38.7 -37.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' GLY . 93.2 m-70 -75.35 -53.57 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 77' ' ' ILE . . . -39.76 -28.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' HIS . 9.2 mtpm? -53.3 -50.53 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -54.06 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.568 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.54 -29.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 77' ' ' ILE . 19.2 mt -107.27 102.76 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.45 141.29 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 13.3 m-85 -119.52 110.12 16.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.1 t -95.67 110.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 tttt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -128.78 138.12 51.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.53 124.17 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.5 HG22 ' CD2' ' A' ' 106' ' ' HIS . 97.6 m -98.53 106.87 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 26.0 tp -82.19 112.07 18.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.2 m-70 -96.13 103.55 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.426 HD11 ' CB ' ' A' ' 133' ' ' ALA . 23.6 mt -94.83 151.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 44.3 mmtt -117.88 -42.43 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.653 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 56.4 t90 -100.56 138.68 20.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.545 0.688 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.86 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.312 0.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ptmt -112.74 169.96 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.2 p -78.97 107.67 11.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.09 165.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.7 mp0 -145.96 150.97 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.6 m -141.57 175.95 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 28.9 mp0 -119.32 145.81 45.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.483 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -137.25 109.17 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -94.95 169.44 10.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.95 160.71 17.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.5 m -67.02 -50.57 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -102.98 173.17 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -63.97 -39.07 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.72 -30.39 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -45.76 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.82 -47.17 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -59.63 -55.51 33.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -42.6 -57.51 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -49.67 -49.88 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.483 ' N ' ' HA3' ' A' ' 117' ' ' GLY . . . -47.17 -54.21 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -58.45 -53.28 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.535 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.13 -44.08 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -54.49 -26.39 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.426 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -88.79 -31.67 18.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.9 m -51.66 -35.85 43.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -62.89 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.52 -44.35 62.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.45 ' CD2' HG11 ' A' ' 76' ' ' VAL . 14.6 m-85 -64.55 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -67.07 -51.47 54.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.55 98.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.427 ' HH2' HG21 ' A' ' 113' ' ' VAL . 31.4 m0 -59.0 -33.59 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.24 3.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.673 HD23 HD13 ' A' ' 158' ' ' LEU . 40.4 mt -99.72 -27.51 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.541 HD21 HG21 ' A' ' 76' ' ' VAL . 2.1 mt -111.02 -61.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.47 -163.83 14.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.12 4.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -104.1 32.43 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 p30 39.93 50.98 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.89 111.15 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 74.7 mt -44.6 165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.511 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 16.5 m-85 -117.53 -178.38 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.95 134.41 37.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.59 -51.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.65 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.511 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 23.7 tttt -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.91 -47.18 74.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -50.23 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.1 t -79.96 -39.15 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.673 HD13 HD23 ' A' ' 142' ' ' LEU . 50.8 mt -58.68 -32.14 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.653 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.97 -27.65 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -64.77 -52.41 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -49.62 -27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 132' ' ' ALA . 28.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -43.48 -41.46 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -40.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -86.15 -35.73 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 8.6 m-85 -107.68 106.59 58.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.12 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -129.21 84.1 63.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.85 27.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -65.59 -41.64 92.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -89.87 -41.85 11.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.6 tt -54.9 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.428 HD21 HD21 ' A' ' 105' ' ' LEU . 12.8 tp -48.48 -57.2 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -50.26 -52.12 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -50.17 -44.73 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 72' ' ' LEU . 20.2 t -48.25 -71.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.81 -34.58 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -29.73 62.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -86.72 -42.07 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -58.34 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.69 -65.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . 159.9 126.33 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' GLY . 20.9 mt -36.5 -46.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -52.32 -50.72 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' ALA . 97.5 m-70 -69.04 -49.84 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.44 -41.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -35.57 -64.91 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -39.66 -46.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 HG23 ' A' ' 107' ' ' ILE . 86.7 mt -99.18 111.03 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.15 140.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -118.09 122.6 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -108.92 106.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.42 ' CE1' HG21 ' A' ' 103' ' ' VAL . 29.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -126.42 137.29 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 94' ' ' HIS . 17.8 t -130.64 119.59 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.8 m -94.59 106.71 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.503 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.0 tp -81.2 104.68 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 22.3 m-70 -86.89 100.99 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 133' ' ' ALA . 10.8 mt -94.49 149.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 111' ' ' LYS . 42.1 mmtt -116.12 -41.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 59.2 t90 -100.54 138.13 20.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.0 Cg_endo -69.76 -41.37 0.92 Allowed 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.37 -0.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 108' ' ' LYS . 5.4 ptmt -112.62 170.28 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -78.45 100.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG12 ' N ' ' A' ' 114' ' ' GLU . 10.1 t -131.83 167.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.576 ' N ' HG12 ' A' ' 113' ' ' VAL . 2.8 mp0 -148.14 143.31 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 129' ' ' ALA . 23.7 m -135.78 154.6 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -98.68 150.55 21.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.73 124.89 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.89 164.35 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.59 164.05 22.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 m -59.95 -60.9 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -100.31 174.71 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -59.16 -41.01 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -61.92 -32.12 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.64 -48.46 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.51 -32.95 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.61 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -39.14 -43.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -63.37 -53.53 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -43.29 -48.95 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -64.11 -47.39 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.29 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.43 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -61.01 -28.6 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.511 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -85.1 -39.64 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m -43.22 -46.1 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -53.97 -39.73 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.76 -46.4 88.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.607 ' CD2' HD13 ' A' ' 142' ' ' LEU . 43.5 m-85 -61.54 -43.44 98.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -59.84 -57.42 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.73 -46.0 90.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -55.33 -38.66 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.85 29.08 3.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 137' ' ' PHE . 54.4 mt -90.47 -32.99 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 76' ' ' VAL . 2.3 mt -106.2 -64.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 128.29 -163.43 21.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -46.48 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -105.76 41.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 147' ' ' ASN . 5.3 p-10 40.02 52.26 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -102.53 101.34 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 88.5 mt -43.67 164.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.488 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 20.1 m-85 -116.22 177.37 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 134.55 47.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -38.82 -43.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.24 -60.17 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.488 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.4 tttm -48.51 -43.43 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.67 -50.67 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -47.3 -36.08 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.59 -44.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 142' ' ' LEU . 38.3 mt -51.08 -36.48 40.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.62 -31.48 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -58.42 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -47.92 -28.65 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 132' ' ' ALA . 19.7 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.832 0.348 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -47.36 -44.62 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 12.6 ptpt -40.84 -45.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 14.0 mm-40 -76.74 -43.28 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -111.5 105.13 56.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.681 0.753 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.3 Cg_endo -69.69 -46.3 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.363 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -120.53 79.62 29.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.6 29.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -70.28 -39.68 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -88.28 -39.01 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.6 tt -58.49 -65.46 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.24 -57.53 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.58 -45.44 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -55.01 -44.81 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.824 ' CG2' HD21 ' A' ' 143' ' ' LEU . 60.5 t -50.61 -67.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.573 ' CD1' HD21 ' A' ' 90' ' ' LEU . 62.6 mt -60.3 -31.7 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.52 -22.98 66.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -95.45 -40.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.24 -59.43 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 109' ' ' TRP . 10.8 mt -98.8 -62.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.16 127.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.1 mt -39.49 -37.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -61.11 -54.66 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -66.44 -43.61 85.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -38.85 -32.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.4 mmtm -35.86 -64.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' LYS . 17.4 t0 -71.72 -48.12 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' ASP . 48.2 mmtt -34.16 -37.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 77' ' ' ILE . 55.1 mt -116.38 105.35 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.19 141.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.96 122.73 44.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -107.15 107.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 19.7 tttp -129.7 142.72 50.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.3 120.19 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.491 HG22 ' CD2' ' A' ' 106' ' ' HIS . 24.5 m -96.02 108.62 21.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 21.6 tp -81.25 105.46 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.577 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 18.1 m-70 -88.63 102.88 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 90' ' ' LEU . 12.6 mt -95.99 149.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 12.5 mmtp -116.05 -40.43 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.549 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.3 t90 -100.52 138.2 20.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.54 0.686 . . . . 0.0 110.951 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.8 -41.12 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.8 OUTLIER -113.07 170.37 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 p -77.28 106.68 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -138.92 168.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.577 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 4.0 mp0 -147.82 150.47 34.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 30.6 m -140.95 153.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -100.83 137.69 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.38 127.8 5.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 m-85 -111.81 162.46 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.4 178.03 40.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -100.23 169.1 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -46.5 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 124' ' ' ASP . 7.5 tp -63.19 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 123' ' ' ILE . 1.0 OUTLIER -65.25 -47.55 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.43 75.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.37 -46.56 82.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -46.29 -55.47 7.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ALA . 13.1 mm-40 -51.26 -60.23 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.27 -60.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.08 -56.24 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.77 -41.53 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.687 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -56.63 -24.92 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.89 -31.02 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.8 m -48.56 -39.81 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 3.3 pt20 -63.74 -31.51 72.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 81.5 mt -72.25 -40.72 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.725 ' HD2' HG11 ' A' ' 76' ' ' VAL . 10.3 m-85 -70.81 -27.16 63.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -72.11 -50.1 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -43.01 93.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.461 ' HH2' HG21 ' A' ' 113' ' ' VAL . 30.3 m0 -56.18 -32.1 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.27 33.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.707 HD23 HD13 ' A' ' 158' ' ' LEU . 51.6 mt -96.92 -30.78 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.824 HD21 ' CG2' ' A' ' 76' ' ' VAL . 2.6 mt -111.89 -65.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 119.82 -166.17 13.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.0 3.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -101.24 32.25 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 41.02 34.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -85.63 109.67 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 70.0 mt -57.44 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.556 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 15.9 m-85 -138.17 177.21 8.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -76.01 143.4 41.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 153' ' ' ALA . . . -37.49 -57.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 152' ' ' ALA . . . -36.1 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.556 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 14.6 tttm -57.45 -51.3 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.449 ' HA ' HD12 ' A' ' 158' ' ' LEU . 29.3 m-85 -57.92 -39.78 78.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.1 ttm105 -56.95 -42.51 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.69 -36.67 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.707 HD13 HD23 ' A' ' 142' ' ' LEU . 65.4 mt -57.03 -49.21 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.76 75.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.92 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -48.1 -22.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 132' ' ' ALA . 27.2 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -43.87 -36.38 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -46.72 -42.58 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -82.01 -43.99 17.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.04 103.0 26.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -41.36 4.46 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -130.32 80.43 70.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 54.1 Cg_endo -69.74 -36.15 11.37 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -62.61 -31.82 72.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.96 -35.98 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.5 tt -66.33 -61.11 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 90' ' ' LEU . 11.1 tp -50.41 -58.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -49.78 -48.46 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -50.82 -45.72 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.74 ' CG2' HD21 ' A' ' 143' ' ' LEU . 97.9 t -48.7 -71.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.06 -34.59 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.14 -22.34 62.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -93.59 -38.22 11.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.3 -60.12 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -93.61 -67.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 163.84 122.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.442 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.6 mm -36.49 -37.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 p -66.35 -49.41 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 82' ' ' GLY . 96.3 m-70 -64.41 -42.92 95.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -42.58 -40.82 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.5 ttpt -36.11 -58.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.46 -45.55 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -45.92 -42.08 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 73' ' ' LEU . 19.0 mt -103.04 108.57 19.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 t -111.66 140.67 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -119.58 123.96 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.73 108.24 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.504 ' CG ' HG22 ' A' ' 103' ' ' VAL . 12.4 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -138.43 127.58 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.504 HG22 ' CG ' ' A' ' 94' ' ' HIS . 9.1 t -113.33 134.58 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.0 m -105.51 105.48 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.03 105.79 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.54 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.9 m-70 -90.55 103.44 16.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 133' ' ' ALA . 13.4 mt -96.21 148.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 24.2 mmtp -115.71 -42.79 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.555 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.0 t90 -100.13 138.58 20.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.1 Cg_endo -69.75 -40.73 1.04 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.388 -0.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.7 ptmt -114.25 168.27 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 110.24 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 114' ' ' GLU . 5.3 t -144.59 167.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.547 ' N ' HG12 ' A' ' 113' ' ' VAL . 5.0 mp0 -146.43 152.74 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 129' ' ' ALA . 9.8 m -140.52 163.08 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 143.67 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.28 115.2 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -100.7 162.54 12.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.958 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.79 5.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 m -55.25 -51.52 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -106.92 172.56 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -53.36 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 124' ' ' ASP . 4.5 tp -51.77 -55.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.576 ' H ' HG23 ' A' ' 123' ' ' ILE . 2.2 m-20 -50.12 -40.2 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.37 -27.95 68.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -64.89 -53.19 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.34 -49.22 74.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.518 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.42 -53.57 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -61.55 -53.16 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -53.94 -31.42 50.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -66.04 -23.52 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.449 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -93.51 -29.77 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.81 -33.67 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 2.4 pt20 -67.53 -32.95 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 86.9 mt -71.53 -42.88 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.502 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.3 m-85 -63.19 -40.71 98.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.46 -58.71 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.62 -39.73 86.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -59.38 -35.85 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.86 29.29 4.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.24 -37.2 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.74 HD21 ' CG2' ' A' ' 76' ' ' VAL . 3.6 mt -103.41 -55.59 2.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.89 -169.61 15.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -32.6 18.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -110.89 28.5 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 44.25 49.75 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -100.22 108.29 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.3 mt -48.19 159.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.471 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -113.59 -179.29 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 152' ' ' ALA . 1.2 m-20 -75.92 131.61 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.13 -45.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.37 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.471 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 22.7 tttm -54.38 -40.51 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.52 -49.9 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -48.84 -39.44 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.79 -41.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 42.5 mt -55.05 -51.62 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -55.69 -35.89 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.67 -54.76 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -41.39 -33.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.902 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.852 0.358 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 63' ' ' LEU . 25.2 mt -44.07 -44.2 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -42.94 -43.09 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.37 -43.76 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 24.1 m-85 -106.94 104.22 50.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.5 Cg_endo -69.82 -49.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.57 77.53 8.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.448 ' HB2' ' N ' ' A' ' 131' ' ' ALA . 53.7 Cg_endo -69.77 -25.77 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -75.11 -33.37 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.68 -43.11 10.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -58.0 -63.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -45.89 -58.79 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.42 -54.56 20.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -44.99 -45.25 10.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG21 HD21 ' A' ' 143' ' ' LEU . 65.8 t -50.99 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -55.43 -27.52 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.24 80.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -85.82 -48.89 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.69 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -98.63 -68.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 129.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 83' ' ' ILE . 4.2 mp -40.88 -36.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p -63.43 -53.15 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -64.99 -50.42 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.37 -35.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.1 tptm -36.63 -62.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' LYS . 2.1 m-20 -70.86 -44.55 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' ASP . 54.3 mmtt -36.99 -43.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.448 HD23 HG23 ' A' ' 107' ' ' ILE . 92.7 mt -103.36 111.49 23.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.12 136.92 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.78 121.47 45.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -112.43 110.28 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 122' ' ' LYS . 22.8 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mttm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -125.52 152.01 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.488 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 14.6 t -136.02 120.32 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.4 m -92.68 104.44 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 130' ' ' ALA . 18.5 tp -81.48 104.88 12.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -86.32 104.63 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 133' ' ' ALA . 13.3 mt -98.07 146.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.2 mmtp -112.98 -42.65 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.616 ' CD1' HD21 ' A' ' 81' ' ' LEU . 33.1 t90 -100.08 138.14 20.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.727 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.7 Cg_endo -69.76 -41.24 0.94 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -113.89 168.81 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.6 p -76.79 102.98 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.677 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.7 t -133.98 168.69 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.56 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.6 mp0 -148.22 145.62 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 129' ' ' ALA . 23.8 m -138.06 157.83 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -101.02 150.42 22.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.57 118.6 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -101.45 161.69 13.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.17 171.27 34.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 t -77.8 -52.71 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.32 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 94' ' ' HIS . 12.0 ttpp -62.61 -59.35 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.3 tp -54.15 -38.0 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.14 -50.77 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.98 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.5 -53.81 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -41.02 -52.25 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.01 -51.2 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -45.22 -54.3 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.459 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -59.49 -51.06 71.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.448 ' N ' ' HB2' ' A' ' 69' ' ' PRO . . . -52.66 -40.76 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -56.25 -22.65 31.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.6 -33.08 14.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.5 m -48.4 -39.36 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 10.3 pt20 -66.13 -35.51 80.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.9 mt -67.68 -40.71 84.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.51 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.4 m-85 -69.6 -28.32 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -74.78 -45.64 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.95 -44.39 88.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.677 ' HH2' HG21 ' A' ' 113' ' ' VAL . 24.3 m0 -57.44 -33.14 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.49 36.8 2.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.727 HD11 ' HG3' ' A' ' 110' ' ' PRO . 44.3 mt -100.19 -25.72 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.535 HD21 HG21 ' A' ' 76' ' ' VAL . 1.8 mt -110.7 -66.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.32 -166.19 20.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -92.1 30.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.0 52.38 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -110.26 114.07 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.407 ' CD2' HG22 ' A' ' 76' ' ' VAL . 65.4 mt -44.81 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 15.8 m-85 -115.94 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -79.92 134.48 36.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.632 ' HB1' HH12 ' A' ' 156' ' ' ARG . . . -38.8 -48.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.55 -56.94 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.423 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 25.5 tttp -54.32 -41.28 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -48.98 79.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.632 HH12 ' HB1' ' A' ' 152' ' ' ALA . 55.9 mtt85 -50.98 -38.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.81 -42.14 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.675 HD13 HD23 ' A' ' 142' ' ' LEU . 39.3 mt -52.52 -37.49 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.59 -27.05 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.04 -59.72 4.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -51.47 -27.36 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.5 mt -43.52 -38.73 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -41.57 -43.78 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.94 -45.1 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -104.33 93.73 6.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -117.36 77.16 9.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.74 -32.4 18.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -64.21 -42.11 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -86.79 -42.01 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.618 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.8 tt -60.14 -57.39 13.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.1 -58.12 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -51.34 -50.17 59.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.7 m -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 72' ' ' LEU . 46.5 t -53.03 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.5 -35.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -26.48 58.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -89.94 -42.81 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.63 -59.23 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.79 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.57 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.447 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mm -37.81 -36.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -62.53 -51.25 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -68.9 -44.57 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.4 -35.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -44.25 -55.57 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -36.82 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -50.63 -45.32 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.417 HD23 HG23 ' A' ' 107' ' ' ILE . 91.9 mt -103.88 110.67 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.32 143.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -119.72 118.71 31.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.9 115.13 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mttm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -128.79 131.34 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.415 HG21 ' HG2' ' A' ' 126' ' ' GLU . 11.4 t -118.82 125.81 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m -97.81 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.92 106.58 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 13.8 m-70 -91.77 101.84 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' A' ' 133' ' ' ALA . 14.9 mt -93.54 149.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 23.2 mmtp -116.42 -43.29 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.577 ' CH2' HD22 ' A' ' 142' ' ' LEU . 46.1 t90 -100.57 138.46 20.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.69 -41.27 0.93 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.4 ptmt -112.62 169.78 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.7 p -80.07 103.54 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.817 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -135.3 168.5 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.55 ' H ' HG12 ' A' ' 113' ' ' VAL . 5.0 mp0 -147.71 153.03 38.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 129' ' ' ALA . 13.9 m -141.6 166.2 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 145.0 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -138.43 107.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.41 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 m-85 -96.45 162.45 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.45 134.64 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 t -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -104.05 170.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -57.36 -56.41 22.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.646 ' O ' HD12 ' A' ' 123' ' ' ILE . 0.4 OUTLIER -56.71 -42.01 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.2 -45.97 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -57.87 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HG2' HG21 ' A' ' 103' ' ' VAL . 17.8 mt-10 -55.35 -51.31 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -43.5 -48.62 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -61.41 -51.4 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.533 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -45.16 -52.08 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -58.44 -52.13 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.46 -40.82 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -58.56 -21.58 53.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -94.29 -31.64 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 94.5 m -49.29 -38.58 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.72 -36.65 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.81 -50.62 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.794 ' HB3' HD23 ' A' ' 143' ' ' LEU . 17.9 m-85 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.471 ' HB2' HD11 ' A' ' 143' ' ' LEU . 30.8 tttm -48.79 -58.39 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.37 97.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.817 ' HH2' HG21 ' A' ' 113' ' ' VAL . 29.6 m0 -59.76 -15.1 17.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.88 35.88 30.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.577 HD22 ' CH2' ' A' ' 109' ' ' TRP . 36.3 mt -96.76 -33.67 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.794 HD23 ' HB3' ' A' ' 137' ' ' PHE . 2.6 pp -112.64 -37.75 4.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.722 ' O ' HD12 ' A' ' 143' ' ' LEU . . . 111.59 -171.74 14.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -44.05 2.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.755 2.303 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 15.5 mmp_? -111.66 42.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . 0.543 ' HA ' HD13 ' A' ' 143' ' ' LEU . 0.6 OUTLIER 48.04 44.59 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -92.05 84.94 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 mt -38.72 158.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -116.36 -178.7 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.24 145.69 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.58 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -48.27 -56.21 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -52.73 -46.88 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -53.45 -47.61 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -50.86 -35.55 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.48 -43.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 61.9 mt -50.15 -33.74 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.44 -42.51 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -47.69 -49.11 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 162' ' ' PHE . 0.0 OUTLIER -51.38 -35.16 37.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.41 ' N ' ' HG2' ' A' ' 161' ' ' ARG . 64.2 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.59 -34.66 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -44.71 -42.45 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.71 -39.64 13.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.87 87.75 3.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.37 3.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.381 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -116.47 74.7 6.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -23.4 31.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -37.74 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -93.23 -36.87 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.3 -65.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.56 -57.44 8.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -52.07 -48.64 64.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -50.13 -42.3 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.6 t -54.3 -74.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.178 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.24 -24.34 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.91 71.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -93.81 -34.52 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.325 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -57.52 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 109' ' ' TRP . 11.4 mt -100.09 -62.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.01 125.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mt -38.68 -40.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -60.13 -51.76 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.33 -45.13 81.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.26 -39.48 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -38.44 -60.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -45.59 73.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -44.95 -44.86 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.63 106.21 18.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.3 t -108.07 140.0 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.438 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.9 m-85 -118.99 112.84 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.82 108.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 27.2 tttm -130.44 158.37 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.404 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 11.1 t -147.16 119.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.465 HG22 ' CD2' ' A' ' 106' ' ' HIS . 64.5 m -94.74 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.498 ' HB3' HG23 ' A' ' 115' ' ' VAL . 26.5 tp -81.4 104.99 12.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.465 ' CD2' HG22 ' A' ' 104' ' ' THR . 9.8 m-70 -87.59 103.12 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.5 mt -97.04 148.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.8 mmtp -116.27 -42.63 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.6 t90 -100.45 138.68 20.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.554 0.692 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.568 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.4 Cg_endo -69.76 -40.9 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.343 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.7 ptmt -113.36 169.15 9.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.4 p -77.89 107.92 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.35 167.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.513 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.5 mp0 -147.84 149.94 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 105' ' ' LEU . 6.7 m -142.3 152.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.96 150.01 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.505 ' O ' ' HB1' ' A' ' 125' ' ' ALA . . . -143.64 110.96 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.417 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 2.0 m-85 -97.06 161.88 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.979 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.43 161.72 20.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -66.86 -53.35 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -105.37 169.79 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -53.87 -51.42 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.25 -30.15 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -68.45 -50.62 51.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 117' ' ' GLY . . . -69.77 -53.1 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -49.47 -40.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -60.82 -52.37 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -52.14 -54.59 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.453 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.88 -53.43 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.41 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -59.14 -50.9 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.08 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.43 -21.42 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.34 -37.56 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 69.9 m -45.7 -36.54 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 18.8 pt20 -67.81 -35.83 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 80.4 mt -67.14 -37.81 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.3 -33.97 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -67.17 -51.79 49.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.07 96.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.3 m0 -56.92 -32.9 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.18 34.24 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 110' ' ' PRO . 36.1 mt -96.78 -20.95 17.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.84 -63.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.05 -163.04 15.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -44.03 2.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 146' ' ' ARG . 13.4 mtp-105 -107.0 38.58 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.4 m120 41.12 50.55 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.15 98.56 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.68 173.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.476 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.0 m-85 -124.44 171.15 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 152' ' ' ALA . 5.1 m-20 -67.64 134.59 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.09 -53.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -45.98 -64.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.476 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.6 tttm -44.71 -49.36 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.505 ' HA ' HD12 ' A' ' 158' ' ' LEU . 8.7 m-85 -52.24 -45.86 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 156' ' ' ARG . 0.7 OUTLIER -50.24 -41.47 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.64 -37.36 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 155' ' ' TYR . 44.7 mt -57.78 -52.04 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.5 -45.62 80.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 161' ' ' ARG . 11.7 t0 -45.47 -57.45 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' ASP . 7.5 mtp-105 -37.59 -37.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 132' ' ' ALA . 52.6 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.1 mt -47.97 -30.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -47.0 -46.77 21.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.42 -37.6 25.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 16.7 m-85 -103.64 94.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.2 Cg_endo -69.78 -45.36 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -125.06 79.09 65.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.5 Cg_endo -69.74 -40.72 5.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -51.84 -35.76 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.62 -35.41 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 tt -63.92 -59.5 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -52.84 -57.6 9.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -54.56 -46.65 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -52.22 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 72' ' ' LEU . 80.8 t -54.1 -74.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 81' ' ' LEU . 61.1 mt -51.69 -32.79 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.431 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.25 -31.07 77.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ttm-85 -86.23 -37.19 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.28 -58.48 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 77' ' ' ILE . 12.0 mt -97.06 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 161.03 125.86 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 14.5 mm -37.25 -41.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.5 m -60.31 -44.24 95.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLY . 52.1 m-70 -71.61 -45.11 63.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.29 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -41.29 -52.52 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -41.88 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -48.57 -45.68 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.416 ' CD2' HG23 ' A' ' 107' ' ' ILE . 77.2 mt -100.01 111.92 24.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.4 t -113.95 139.74 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 126' ' ' GLU . 7.4 m-85 -115.83 117.82 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.0 t -111.13 103.38 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -120.32 140.53 51.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -125.76 124.47 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.7 m -92.08 102.02 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HB2' ' HB1' ' A' ' 129' ' ' ALA . 32.1 tp -80.95 101.19 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -82.89 102.5 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.416 HG23 ' CD2' ' A' ' 90' ' ' LEU . 13.3 mt -97.44 145.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 21.0 mmtp -113.6 -42.2 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 50.5 t90 -100.39 138.26 20.15 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.618 ' HG3' HD11 ' A' ' 142' ' ' LEU . 54.3 Cg_endo -69.69 -41.13 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.329 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.51 170.53 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -78.01 103.37 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.685 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -133.17 166.67 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.8 mp0 -147.18 141.61 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 105' ' ' LEU . 17.7 m -138.85 164.15 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -108.76 151.18 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -139.17 127.14 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.424 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 8.5 m-85 -99.64 156.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.35 131.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.1 m -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.412 ' CE ' ' OD2' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -100.74 165.33 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -49.96 -62.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 124' ' ' ASP . 5.8 tp -51.73 -47.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' N ' HG23 ' A' ' 123' ' ' ILE . 24.6 m-20 -52.22 -45.86 65.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.424 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -62.72 -65.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 92' ' ' TYR . 53.9 mt-10 -46.64 -40.06 12.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -52.79 -57.37 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -50.12 -47.89 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 105' ' ' LEU . . . -50.09 -52.71 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.13 -49.69 73.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -57.65 -44.42 85.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.485 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -53.41 -31.55 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.51 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.8 m -50.5 -33.3 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -33.66 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.85 -36.69 70.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -66.72 -50.81 61.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.593 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.8 ptmm? -61.09 -37.25 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.3 -42.72 82.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.685 ' HH2' HG21 ' A' ' 113' ' ' VAL . 18.4 m0 -62.69 -30.16 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.66 28.79 3.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 110' ' ' PRO . 36.5 mt -95.95 -33.45 12.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 138' ' ' LYS . 2.6 mt -108.83 -64.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.56 -167.31 14.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.44 6.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -104.05 29.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.0 p30 42.84 52.0 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.58 109.48 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.2 mt -49.9 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -132.96 -175.03 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 150.13 39.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.72 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -53.32 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -44.58 -43.73 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.58 -48.51 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -48.65 -38.42 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.18 -40.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.454 HD13 HD23 ' A' ' 142' ' ' LEU . 68.1 mt -56.03 -32.81 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.465 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.87 -33.25 34.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.88 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -42.74 -31.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -90.15 -55.14 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -88.82 156.32 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.89 70.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -110.4 161.47 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.6 p -77.63 126.73 31.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.0 114.93 1.59 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.35 97.34 7.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.1 m -60.47 -47.29 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -72.29 149.89 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.809 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.9 122.58 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 132' ' ' ALA . 42.0 mt -65.1 -42.43 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 63' ' ' LEU . 23.6 mt -42.9 -41.51 3.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -41.13 -44.08 2.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -36.48 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -115.01 87.55 15.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -46.43 1.23 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.648 2.232 . . . . 0.0 112.413 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -114.14 74.64 2.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.624 0.726 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.7 -27.72 26.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.267 . . . . 0.0 112.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 ttmm -68.1 -35.09 77.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -93.74 -41.0 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 143' ' ' LEU . 4.5 tt -61.94 -58.55 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.493 HD23 HD13 ' A' ' 90' ' ' LEU . 10.6 tp -53.58 -58.1 8.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -50.24 -45.91 54.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.8 m -52.85 -38.38 61.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 137' ' ' PHE . 87.6 t -57.62 -73.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.415 HG23 HD12 ' A' ' 81' ' ' LEU . 57.9 mt -53.97 -32.29 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.24 -26.51 70.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -90.31 -42.09 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -66.22 -54.35 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 109' ' ' TRP . 11.4 mt -102.61 -66.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.08 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.523 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.1 mt -42.26 -42.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.3 p -59.76 -44.58 93.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.6 m-70 -71.42 -49.65 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 89' ' ' LYS . . . -37.44 -37.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.5 mttp -38.16 -53.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.18 -38.71 42.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 40.4 mmtt -46.32 -44.81 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.493 HD13 HD23 ' A' ' 73' ' ' LEU . 90.6 mt -104.44 107.16 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 t -107.42 140.15 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -116.63 123.86 48.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.4 t -114.82 120.91 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.437 ' CE1' ' CG2' ' A' ' 103' ' ' VAL . 30.1 m-70 -94.6 143.55 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 t -117.35 167.28 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -143.18 130.93 21.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.47 ' N ' ' HD2' ' A' ' 98' ' ' PRO . . . 150.78 -60.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 97' ' ' GLY . 54.1 Cg_endo -69.76 149.26 66.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -38.24 -64.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -87.73 146.3 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -76.66 143.91 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 14.4 ttpt -125.45 148.43 48.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.437 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 14.0 t -130.49 121.97 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.1 m -96.54 104.82 16.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -80.98 106.4 12.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.431 ' HB3' ' NZ ' ' A' ' 108' ' ' LYS . 20.2 m-70 -89.79 103.02 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.451 HG23 HD23 ' A' ' 90' ' ' LEU . 12.1 mt -95.11 148.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 31.8 mmtm -115.46 -41.84 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.62 ' HH2' HD22 ' A' ' 142' ' ' LEU . 50.0 t90 -100.42 138.51 20.2 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.74 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.338 -0.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.2 ptmt -113.13 169.85 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -77.6 106.25 9.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -138.02 168.1 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.535 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.0 mp0 -147.4 153.34 39.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 33.3 m -145.03 159.79 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -106.43 146.01 31.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.04 118.63 2.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.413 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 6.0 m-85 -99.16 158.71 15.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.05 161.61 20.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.4 m -70.2 -55.95 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -101.36 173.28 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -51.09 63.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 124' ' ' ASP . 6.1 tp -60.61 -43.88 95.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 123' ' ' ILE . 0.8 OUTLIER -53.87 -49.59 68.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.93 -54.37 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -49.26 -44.56 43.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -52.48 -57.81 8.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 129' ' ' ALA . 39.7 mm-40 -47.91 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.35 -63.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -51.08 -50.62 58.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.2 -35.65 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -63.4 -22.33 66.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.415 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.59 -35.11 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 88.0 m -46.38 -40.38 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' A' ' 62' ' ' LEU . 13.9 pt20 -60.52 -38.24 83.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.3 mt -65.96 -42.48 89.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 76' ' ' VAL . 34.2 m-85 -65.31 -34.19 77.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -67.0 -52.66 39.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.94 -37.5 94.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.41 ' HH2' HG21 ' A' ' 113' ' ' VAL . 26.8 m0 -61.26 -41.69 97.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.354 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.85 27.09 2.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.62 HD22 ' HH2' ' A' ' 109' ' ' TRP . 30.6 mt -99.63 -24.54 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.56 ' CD2' HD21 ' A' ' 72' ' ' LEU . 67.9 mt -104.95 -63.31 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.25 -173.48 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -39.6 6.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.242 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.477 ' CB ' ' OE2' ' A' ' 148' ' ' GLU . 21.5 mmm180 -111.69 31.39 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.4 44.67 29.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.477 ' OE2' ' CB ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 67.4 mt -48.64 175.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.444 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 25.5 m-85 -125.99 -176.26 3.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.19 145.64 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -42.91 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -39.29 -54.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 31.8 tttm -53.83 -48.41 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.463 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 13.7 m-85 -53.82 -41.84 67.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -54.66 -43.32 72.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.27 -40.57 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.566 HD13 HD23 ' A' ' 142' ' ' LEU . 66.7 mt -56.54 -33.37 66.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.495 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.33 -27.58 29.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.57 -51.47 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -55.97 -23.74 34.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -86.52 -40.88 14.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -170.58 155.78 25.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 74.4 m -125.63 96.13 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.948 0.404 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -58.22 -157.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.7 19.22 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 48.8 m -92.55 136.58 33.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 50.6 p -86.23 -25.06 25.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -114.72 93.06 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.9 m -118.7 158.46 25.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.01 164.37 10.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.4 t -151.24 160.07 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.4 m -129.3 100.9 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.67 -58.37 1.35 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.437 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 167.58 4.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.5 m -128.7 133.98 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.55 -176.5 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.14 102.51 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 28.0 mt -45.21 -38.29 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 mt -45.95 -39.26 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -41.4 -42.65 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.81 -35.27 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 17.7 m-85 -112.57 94.11 26.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.75 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -43.3 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.338 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.33 78.76 44.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.567 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.73 -32.99 17.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -63.61 -33.23 75.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.54 -44.83 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 tt -55.92 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.503 HD21 HD21 ' A' ' 105' ' ' LEU . 14.2 tp -48.3 -57.47 5.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -51.87 -44.76 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.3 m -55.17 -42.05 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' LEU . 20.8 t -53.14 -71.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.507 ' CD1' HD21 ' A' ' 90' ' ' LEU . 61.5 mt -55.34 -35.6 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.98 -26.52 67.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.428 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -91.56 -32.19 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -77.06 -57.32 3.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.9 mt -99.09 -68.35 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.2 124.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.1 mm -39.05 -32.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -70.12 -54.61 12.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -62.5 -40.52 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -45.21 -39.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 82.2 mttt -36.71 -57.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -44.46 63.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -46.39 -35.73 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.507 HD21 ' CD1' ' A' ' 77' ' ' ILE . 31.4 mt -109.15 110.15 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 105' ' ' LEU . 5.4 t -114.43 141.05 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -117.99 115.59 25.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.6 t -104.71 108.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -79.49 146.3 32.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.4 p -132.97 154.36 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.74 138.22 50.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.45 -70.7 0.2 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 175.09 8.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.363 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -60.56 -57.72 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.9 144.38 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -68.0 149.76 49.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -132.53 132.05 42.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -128.62 119.47 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.434 HG23 ' OE1' ' A' ' 116' ' ' GLU . 92.8 m -92.34 109.03 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.503 HD21 HD21 ' A' ' 73' ' ' LEU . 27.5 tp -81.66 108.81 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.469 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 21.6 m-70 -90.57 104.62 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.1 mt -98.9 151.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 45.5 mmtt -118.15 -42.96 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.553 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 35.7 t90 -100.37 138.85 20.29 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.527 0.679 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.724 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.6 Cg_endo -69.77 -40.73 1.04 Allowed 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.317 -0.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ptmt -113.7 169.05 9.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 84.4 p -78.41 108.75 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.536 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -142.11 165.9 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -146.4 147.23 31.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 129' ' ' ALA . 9.7 m -139.11 156.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.434 ' OE1' HG23 ' A' ' 104' ' ' THR . 2.7 mm-40 -99.01 145.3 27.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.66 115.99 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.66 158.95 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.399 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.55 170.4 33.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -76.95 -52.68 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -103.53 170.14 8.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 123' ' ' ILE . 15.3 ptpt -53.16 -45.02 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' LYS . 6.1 tp -64.51 -37.05 79.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.96 -44.38 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.66 93.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -63.56 -54.13 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -39.28 -49.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -57.02 -53.54 56.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.473 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -43.34 -54.94 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -59.11 -47.3 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.53 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.24 33.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.22 -35.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 98.7 m -46.62 -37.77 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 5.8 pt20 -69.96 -33.21 71.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.3 mt -70.29 -42.37 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -65.27 -48.42 73.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.498 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.2 ptmm? -65.77 -43.61 88.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.1 -34.8 85.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.536 ' HH2' HG21 ' A' ' 113' ' ' VAL . 27.3 m0 -73.81 -17.66 61.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.51 28.31 8.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.724 HD11 ' HG3' ' A' ' 110' ' ' PRO . 29.0 mt -91.13 -30.99 16.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 138' ' ' LYS . 2.2 mt -114.97 -66.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.13 -156.09 22.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.4 2.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 10.9 ptt180 -117.06 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 146' ' ' ARG . 4.7 p30 45.59 52.12 9.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.415 ' HG3' ' CG ' ' A' ' 146' ' ' ARG . 8.1 mt-10 -88.94 84.58 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 51.0 mt -44.75 168.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.435 ' CB ' ' HD3' ' A' ' 154' ' ' LYS . 26.2 m-85 -128.23 175.96 8.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.29 140.05 58.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -44.79 -48.26 10.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.62 -57.91 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 12.9 tttp -52.84 -43.58 66.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.451 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 6.6 m-85 -55.81 -43.55 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.49 -42.07 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.7 t -75.87 -42.28 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 54.3 mt -54.13 -53.71 49.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.52 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.37 -43.6 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 162' ' ' PHE . 7.1 t70 -49.51 -57.87 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.1 mtp85 -38.63 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 160' ' ' ASP . 64.8 m-85 -93.04 -39.99 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . 133.01 84.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.1 m -86.98 38.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.945 0.403 . . . . 0.0 110.888 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 60.37 174.46 1.03 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.24 6.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.7 m -86.04 -56.06 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 p 44.9 42.58 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 p -87.65 48.58 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.9 m -79.78 104.47 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.86 115.53 0.38 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -160.42 149.93 17.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.361 . . . . 0.0 110.876 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t 58.85 41.36 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.96 76.6 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.84 112.94 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.783 0.325 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.6 p -148.09 136.29 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -55.11 -43.81 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -112.76 130.65 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.62 -45.62 91.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -42.75 -35.47 1.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -43.91 -46.93 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.98 -36.93 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 22.8 m-85 -105.9 94.73 9.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.1 Cg_endo -69.75 -43.56 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -125.68 78.52 68.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -39.7 6.11 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.488 ' O ' ' ND2' ' A' ' 74' ' ' ASN . 39.5 tttt -54.88 -32.65 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -96.56 -43.78 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.53 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.7 tt -54.3 -58.96 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 tp -53.47 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 70' ' ' LYS . 13.5 m-20 -41.54 -55.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -45.17 -53.33 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 137' ' ' PHE . 56.6 t -38.97 -72.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.73 -35.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.04 -21.7 56.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -97.16 -43.1 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.46 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 109' ' ' TRP . 13.5 mt -97.75 -67.17 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 164.53 124.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.413 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 62.8 mt -37.07 -47.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.19 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -53.62 -55.04 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.6 m-70 -62.71 -49.44 75.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.61 -31.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' HIS . 17.4 ttpp -36.35 -61.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.51 -44.53 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -39.12 -34.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.88 101.63 8.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.96 138.33 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.5 m-85 -116.11 117.22 29.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.9 t -108.23 110.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.495 ' CE1' ' CG2' ' A' ' 103' ' ' VAL . 36.6 m-70 -86.62 151.4 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -130.64 142.15 50.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -117.43 150.5 38.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.93 -73.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 155.4 66.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -46.53 -51.4 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -85.02 153.06 22.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -95.5 145.8 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HE3' ' CD ' ' A' ' 116' ' ' GLU . 29.3 tttt -125.62 132.31 52.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.495 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 13.0 t -123.53 113.93 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 47.2 m -92.51 105.52 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 92' ' ' TYR . 30.0 tp -81.05 104.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -87.13 104.58 16.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 17.3 mt -99.9 148.51 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 111' ' ' LYS . 36.0 mmtt -115.72 -41.42 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 55.2 t90 -100.51 138.44 20.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.8 Cg_endo -69.77 -41.21 0.94 Allowed 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.739 -1.775 . . . . 0.0 112.331 -0.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.85 170.5 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 m -79.23 107.88 12.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 114' ' ' GLU . 4.1 t -141.44 166.32 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.518 ' N ' HG12 ' A' ' 113' ' ' VAL . 2.8 mp0 -145.83 144.37 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 129' ' ' ALA . 18.7 m -134.88 152.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' CD ' ' HE3' ' A' ' 102' ' ' LYS . 5.8 mm-40 -99.98 143.51 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.411 ' HA3' ' HB2' ' A' ' 129' ' ' ALA . . . -130.94 109.74 0.93 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 102' ' ' LYS . 6.3 m-85 -94.63 160.03 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.69 144.99 4.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 m -54.03 -50.57 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -175.18 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -79.34 -19.87 49.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -82.24 -30.52 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.41 -31.89 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.28 -45.6 66.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -63.32 -46.0 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -54.49 -62.2 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -42.13 -54.35 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.546 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -47.18 -54.18 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.42 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -57.3 -46.12 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.29 -46.84 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.46 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -52.8 -23.56 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.096 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.52 13.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.0 m -46.05 -43.2 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -61.48 -31.07 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.37 -37.01 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.717 ' CD2' HG11 ' A' ' 76' ' ' VAL . 11.1 m-85 -74.56 -27.71 60.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.12 -51.04 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.96 -41.69 95.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -56.81 -22.5 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.34 36.5 6.22 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' ' 110' ' ' PRO . 44.6 mt -100.04 -25.64 14.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.434 HD21 ' CG2' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -116.96 -63.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.56 -168.74 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -35.74 12.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.684 2.256 . . . . 0.0 112.391 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -102.74 28.16 6.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 42.06 49.77 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.21 126.12 44.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.92 176.25 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.422 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -130.53 178.19 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.3 OUTLIER -71.49 128.93 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.94 -42.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -55.12 -63.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 13.5 tttp -46.21 -43.74 15.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.8 -51.2 66.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -47.34 -36.56 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.88 -42.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 142' ' ' LEU . 38.0 mt -54.0 -32.24 53.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.498 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.04 -29.53 28.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -61.82 -48.31 81.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -52.09 -28.5 17.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -82.03 -37.01 27.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 151.61 160.91 9.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 46.7 t -82.06 -44.61 16.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.913 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 146.97 -171.7 27.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.49 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 5.4 t -89.75 124.55 34.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 17.4 t -133.45 125.01 28.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -133.52 96.94 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 0.0 110.818 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t 58.92 41.82 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -131.2 61.41 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.0 m -139.53 127.57 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.8 p -107.79 175.66 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 118.51 49.9 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.99 124.77 22.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -116.41 105.67 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -160.85 165.48 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.29 120.31 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 132' ' ' ALA . 25.1 mt -66.02 -34.3 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.8 mt -47.48 -39.03 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -41.43 -44.86 2.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.16 -36.14 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 29.7 m-85 -107.74 92.86 9.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.0 Cg_endo -69.74 -39.82 6.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 0.0 112.367 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -125.28 74.91 68.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.5 Cg_endo -69.8 -33.51 16.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -60.98 -39.94 91.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -90.29 -45.33 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -52.98 -50.89 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.16 -60.3 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -49.12 -51.76 30.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -47.1 -37.92 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 72' ' ' LEU . 59.4 t -56.55 -74.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 81' ' ' LEU . 54.1 mt -55.24 -32.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.13 -22.5 70.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -96.31 -36.77 10.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.57 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 109' ' ' TRP . 10.0 mt -95.75 -66.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 165.18 124.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mm -38.59 -37.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -63.06 -49.87 72.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -66.49 -47.61 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.29 -39.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.7 tttp -37.31 -60.55 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -42.77 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -44.0 -40.63 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.11 111.65 24.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.0 t -114.92 142.22 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.408 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.7 m-85 -118.39 121.34 40.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.41 109.95 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -86.89 155.49 20.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.7 t -136.71 156.25 48.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -127.01 149.99 49.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 148.96 -76.89 0.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 158.89 55.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.637 2.225 . . . . 0.0 112.351 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -43.91 -54.58 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -84.18 160.3 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.37 147.3 25.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -122.39 135.21 54.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.1 t -126.84 117.82 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.3 m -95.37 108.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.468 ' HB3' HG23 ' A' ' 115' ' ' VAL . 23.6 tp -82.95 107.49 15.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -90.1 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.1 mt -99.79 149.43 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 20.2 mmtp -116.86 -41.95 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.553 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 45.4 t90 -100.39 138.62 20.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -40.63 1.06 Allowed 'Cis proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.359 0.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.9 169.62 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.4 p -77.53 107.6 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.509 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.18 167.21 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.509 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.9 mp0 -147.86 150.84 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 105' ' ' LEU . 16.9 m -140.91 152.64 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -103.53 140.99 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -126.98 129.68 6.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.35 157.22 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.92 178.12 40.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.2 t -91.4 -47.43 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.892 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.1 165.77 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.22 -27.94 62.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.412 ' CG1' ' HE ' ' A' ' 127' ' ' ARG . 7.3 tp -83.01 -31.04 8.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -68.07 -50.9 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.09 -48.26 68.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.34 -50.51 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.412 ' HE ' ' CG1' ' A' ' 123' ' ' ILE . 40.3 mtt-85 -53.17 -49.56 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -51.73 -61.2 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.64 -61.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.47 -54.3 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.07 -44.21 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.03 -24.19 23.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -89.49 -40.08 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 91.4 m -42.68 -41.1 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -58.85 -38.57 79.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.19 -45.92 82.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 142' ' ' LEU . 21.5 m-85 -63.05 -29.65 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -72.69 -47.37 47.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.32 -45.55 93.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 31.1 m0 -56.3 -37.28 69.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.97 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.53 HD11 ' HG3' ' A' ' 110' ' ' PRO . 37.1 mt -95.97 -29.42 14.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.91 -61.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 120.74 -164.37 14.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -46.72 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.9 mmt-85 -101.7 33.26 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.4 m120 43.73 51.68 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -103.33 103.6 13.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.64 166.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.46 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 47.8 m-85 -115.83 178.66 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -70.96 132.58 45.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -36.22 -45.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -51.97 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 16.1 tttp -46.16 -44.5 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -53.05 -51.16 62.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.12 -42.7 29.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 76.3 t -74.48 -45.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.517 HD13 HD23 ' A' ' 142' ' ' LEU . 41.6 mt -48.94 -50.16 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.499 ' HB2' ' CE2' ' A' ' 109' ' ' TRP . . . -61.11 -58.98 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -43.37 -48.14 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -45.69 -37.02 5.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -72.52 -39.29 67.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 159.51 -133.48 3.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 34.1 p -38.4 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 101.2 81.96 1.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -178.08 2.18 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 42.1 p -78.55 -36.73 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 39.9 t -148.74 110.98 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.458 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' SER . 13.3 t -77.47 115.49 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.812 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' SER . 75.7 p 34.9 42.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.71 58.1 2.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -88.91 107.42 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 m -143.42 164.18 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.99 83.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.7 176.43 7.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 p -60.51 129.31 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -170.53 160.64 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -90.15 110.63 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.1 mt -67.31 -42.66 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -45.39 -38.78 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -42.69 -41.43 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.12 -39.34 12.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 17.1 m-85 -105.24 95.81 10.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.493 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.7 Cg_endo -69.78 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.5 pm0 -122.9 79.92 50.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.465 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.0 Cg_endo -69.73 -38.35 7.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -59.36 -36.89 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -88.73 -42.07 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.5 tt -58.99 -69.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 105' ' ' LEU . 11.8 tp -41.86 -56.97 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -51.38 -53.91 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.26 -43.13 10.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG11 ' HD2' ' A' ' 137' ' ' PHE . 58.7 t -51.93 -74.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CD1' HD21 ' A' ' 90' ' ' LEU . 48.1 mt -54.15 -34.87 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.432 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -60.24 -26.85 64.39 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -92.68 -42.98 9.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.27 -59.79 4.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.538 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -96.93 -65.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.35 122.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 6.9 mm -37.13 -38.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -60.63 -50.62 72.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.93 -35.97 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -46.87 -29.57 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -38.47 -61.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.32 -45.97 52.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -37.04 -40.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 77' ' ' ILE . 60.6 mt -115.09 108.33 16.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.0 t -110.84 144.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.7 m-85 -119.19 119.71 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.4 t -110.85 111.77 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -86.18 150.55 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 102' ' ' LYS . 4.7 t -128.3 145.56 51.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -127.35 123.3 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.51 -68.35 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 169.01 19.92 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -49.52 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -88.43 156.42 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -89.23 156.39 18.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 95' ' ' THR . 34.1 tttm -136.66 146.86 46.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.2 t -133.09 120.61 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.451 HG22 ' HD2' ' A' ' 106' ' ' HIS . 65.2 m -94.93 108.62 20.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 73' ' ' LEU . 24.0 tp -83.1 105.1 13.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.451 ' HD2' HG22 ' A' ' 104' ' ' THR . 4.6 m-70 -89.29 103.58 16.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 90' ' ' LEU . 13.7 mt -97.64 149.21 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 35.8 mmtt -116.59 -42.13 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 51.5 t90 -100.46 138.54 20.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.9 Cg_endo -69.73 -40.97 0.98 Allowed 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 -1.821 . . . . 0.0 112.37 -0.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.3 ptmt -113.31 169.83 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.2 m -78.89 105.93 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 114' ' ' GLU . 2.8 t -139.56 164.31 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' N ' HG12 ' A' ' 113' ' ' VAL . 5.2 mp0 -143.77 151.88 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 129' ' ' ALA . 28.4 m -141.86 153.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 134.91 41.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -123.59 115.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.78 161.14 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.9 162.07 20.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 m -72.1 -54.39 9.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -101.02 163.43 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -43.94 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.9 tp -63.71 -35.55 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.11 -49.02 48.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.42 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -61.36 -58.04 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 68' ' ' GLN . 26.9 mtp85 -39.27 -55.93 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -48.39 -59.55 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.48 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -39.06 -59.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -50.95 -50.19 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.15 -46.26 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -51.28 -26.42 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.84 -32.12 15.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 86.2 m -50.0 -33.42 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -68.49 -38.03 80.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 74.8 mt -67.18 -46.18 74.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.472 ' HD2' HG11 ' A' ' 76' ' ' VAL . 9.5 m-85 -63.65 -40.17 96.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.71 82.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -62.58 -31.23 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.98 33.16 3.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.818 HD23 HD13 ' A' ' 158' ' ' LEU . 35.3 mt -98.29 -13.15 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.436 HD21 ' CG2' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -126.9 -69.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 126.7 -161.73 20.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.84 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.398 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -99.66 31.36 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.404 ' HB3' HD11 ' A' ' 72' ' ' LEU . 27.4 m-20 40.92 54.78 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -101.42 123.69 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 30.1 mt -62.39 148.54 45.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.518 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 30.2 m-85 -100.81 -179.01 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.7 159.42 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.97 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -49.94 -56.59 9.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.518 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -51.62 -47.72 63.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -50.76 -47.75 59.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -50.78 -44.22 58.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.26 -38.75 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.818 HD13 HD23 ' A' ' 142' ' ' LEU . 43.1 mt -59.42 -33.64 71.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -82.55 -28.83 30.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.09 -56.33 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -43.98 -27.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -91.22 -33.83 15.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 102.42 113.65 3.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 11.0 m -128.0 -49.14 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 169.07 -155.35 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 124.45 11.09 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 66.3 m -87.04 159.04 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 98.4 p -163.54 172.93 13.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -123.19 -53.94 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.3 t -153.06 130.42 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.54 47.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -72.05 -46.09 58.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 t -74.25 114.58 12.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.69 -67.19 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.85 179.05 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.3 p -129.11 -31.27 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -79.9 -22.08 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -97.92 82.67 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 132' ' ' ALA . 43.4 mt -58.2 -43.95 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.72 -39.57 3.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -39.82 -42.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.7 -41.92 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 15.8 m-85 -103.1 95.86 7.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.4 Cg_endo -69.77 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.317 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -127.82 80.45 72.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HB2' ' HB3' ' A' ' 130' ' ' ALA . 54.1 Cg_endo -69.66 -35.81 12.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.23 . . . . 0.0 112.401 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.61 -43.43 84.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -84.48 -45.81 12.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.4 tt -55.42 -65.03 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 90' ' ' LEU . 13.4 tp -44.12 -58.2 2.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -51.9 -50.26 61.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.2 m -48.57 -38.08 19.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG2' HD21 ' A' ' 143' ' ' LEU . 48.7 t -56.65 -72.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.538 ' CG2' HD12 ' A' ' 81' ' ' LEU . 48.4 mt -56.2 -35.2 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.468 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -59.64 -26.96 63.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -89.46 -37.89 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.56 -59.89 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 77' ' ' ILE . 11.2 mt -95.52 -61.6 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.68 131.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.468 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 21.6 mt -43.63 -37.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.5 m -61.74 -54.11 46.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -63.43 -46.47 86.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -40.42 -41.35 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.8 ttmm -36.22 -58.68 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -72.52 -51.17 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' ASP . 47.4 mmtt -34.99 -40.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.528 HD13 HD23 ' A' ' 73' ' ' LEU . 58.6 mt -105.83 114.3 28.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 t -115.46 140.39 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -115.08 121.77 44.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 81.8 t -113.13 108.67 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -80.0 156.22 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.3 t -131.79 156.72 45.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -138.06 152.72 49.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.59 -67.06 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -176.93 1.67 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -50.17 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -88.13 151.98 22.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -95.22 136.61 35.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 6.7 ttpm? -120.98 155.26 34.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.7 t -139.81 119.86 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.3 m -93.14 106.16 18.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 23.7 tp -80.99 104.48 11.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -84.92 103.26 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 133' ' ' ALA . 11.2 mt -97.66 145.37 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.1 mmtp -112.97 -42.32 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 57.9 t90 -100.37 138.41 20.19 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.2 Cg_endo -69.73 -40.91 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.366 -0.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.93 170.5 8.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -77.99 104.15 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.732 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -135.11 169.06 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.564 ' H ' HG12 ' A' ' 113' ' ' VAL . 2.9 mp0 -148.11 145.65 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.482 ' HB ' ' HB3' ' A' ' 132' ' ' ALA . 17.6 m -138.7 154.5 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -100.88 145.87 28.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.43 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -133.94 116.19 1.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 2.9 m-85 -95.8 163.66 13.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.967 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.11 140.51 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 t -53.68 -39.95 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -115.24 -179.19 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -66.22 -57.67 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 tp -53.66 -25.37 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.34 -41.3 20.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.05 92.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.11 -49.65 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -46.99 -51.07 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.4 -51.42 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.464 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.84 -54.91 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 69' ' ' PRO . . . -56.42 -50.41 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -45.86 65.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -52.88 -26.2 14.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.528 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -89.71 -36.1 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.542 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 93.2 m -47.73 -35.5 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.74 -31.88 68.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 71.3 mt -71.48 -40.38 70.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.408 ' CD2' HD13 ' A' ' 142' ' ' LEU . 15.0 m-85 -65.72 -49.97 66.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.42 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.7 ptmm? -62.37 -42.29 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.26 -35.96 92.78 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.732 ' HH2' HG21 ' A' ' 113' ' ' VAL . 20.4 m0 -70.19 -24.07 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.03 29.19 4.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 150' ' ' PHE . 34.3 mt -94.67 -37.5 11.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 76' ' ' VAL . 4.5 mt -108.05 -65.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.4 -162.45 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.493 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -43.08 2.89 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -97.66 29.65 3.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 8.5 p30 41.18 47.48 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -94.15 133.99 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.64 169.14 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.4 m-85 -122.65 -176.04 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.82 130.97 37.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.07 -48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.12 -54.58 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.452 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 20.9 tttt -54.7 -40.4 69.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -58.95 -48.96 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -50.17 -41.18 48.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.12 -43.38 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.416 HD11 ' HE2' ' A' ' 154' ' ' LYS . 53.8 mt -54.38 -47.24 72.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.504 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -59.56 -41.48 90.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 163' ' ' GLY . 18.8 t70 -48.5 -53.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.7 mtp85 -42.16 -30.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.441 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 64.6 m-85 -80.27 -35.6 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -97.35 60.09 1.09 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 63.4 p -105.08 171.15 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -51.68 146.41 12.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 151.06 68.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.633 2.222 . . . . 0.0 112.32 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 168' ' ' SER . 92.4 p -110.48 -23.19 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 167' ' ' SER . 13.9 m 35.16 49.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.7 p -108.55 108.45 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.5 p -148.41 154.95 40.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 167.8 -89.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.6 p -171.96 157.28 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -70.25 169.19 14.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -105.99 139.72 14.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -121.97 126.57 48.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 0.0 111.072 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -89.1 40.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -131.91 136.56 47.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.8 t0 46.28 47.94 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 132' ' ' ALA . 36.5 mt -43.28 -28.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 mt -51.85 -41.89 62.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.84 -43.42 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -85.98 -37.93 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 17.6 m-85 -109.97 99.25 38.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' O ' ' NH2' ' A' ' 127' ' ' ARG . 54.3 Cg_endo -69.71 -45.76 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -123.14 74.46 49.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.547 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.4 Cg_endo -69.74 -33.7 16.14 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -38.72 75.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -91.32 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 76' ' ' VAL . 4.8 tt -43.52 -52.78 5.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD21 HD21 ' A' ' 105' ' ' LEU . 13.9 tp -51.39 -66.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.601 ' ND2' ' N ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -43.94 -52.17 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.601 ' N ' ' ND2' ' A' ' 74' ' ' ASN . 8.3 m -46.58 -34.97 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 72' ' ' LEU . 45.5 t -61.12 -72.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.502 HG22 ' HB2' ' A' ' 86' ' ' ALA . 63.5 mt -55.06 -34.26 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.06 -37.45 91.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -77.66 -41.7 37.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.95 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.655 HD12 ' HD2' ' A' ' 89' ' ' LYS . 11.0 mt -104.35 -69.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 167.39 126.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.807 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.3 mp -41.2 -32.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 111.116 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.4 m -66.22 -52.89 43.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 96.9 m-70 -65.79 -58.16 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.502 ' HB2' HG22 ' A' ' 77' ' ' ILE . . . -34.81 -41.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 38.2 mtpt -36.16 -48.43 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -48.32 17.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.655 ' HD2' HD12 ' A' ' 81' ' ' LEU . 14.9 mttm -42.63 -48.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 77' ' ' ILE . 38.2 mt -90.03 108.05 19.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.9 t -113.21 142.72 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.474 ' CE1' HD13 ' A' ' 105' ' ' LEU . 5.9 m-85 -118.76 112.64 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.54 113.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -94.75 138.49 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.1 t -109.36 160.77 15.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.14 120.67 11.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.61 -64.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.56 24.11 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -52.1 -62.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -84.55 148.48 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -90.01 148.51 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.459 ' HD3' ' CE1' ' A' ' 118' ' ' TYR . 4.8 ttpm? -128.82 150.74 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.55 115.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.7 m -92.72 106.57 18.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.474 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.46 107.53 14.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -88.99 106.58 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.14 146.07 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.0 mmtp -113.09 -43.28 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 61.3 t90 -100.57 138.5 20.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.555 0.693 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.561 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.9 Cg_endo -69.77 -41.14 0.96 Allowed 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.347 -0.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.6 OUTLIER -112.86 169.29 9.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.1 p -80.04 103.49 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -135.75 170.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.606 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.5 mp0 -148.1 150.72 34.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 129' ' ' ALA . 26.8 m -140.15 151.12 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -100.05 144.6 28.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' ' HB1' ' A' ' 125' ' ' ALA . . . -131.7 119.83 2.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 6.5 m-85 -98.03 153.11 18.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.85 158.8 14.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 t -69.52 -46.94 65.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.994 0.426 . . . . 0.0 110.855 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.53 169.65 8.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -56.33 -41.93 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.65 -30.19 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.24 -47.42 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 117' ' ' GLY . . . -74.44 -40.8 61.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.01 -45.52 82.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 67' ' ' PRO . 44.3 mtp180 -57.7 -52.13 66.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -51.96 -54.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.33 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.95 -54.12 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.45 -43.91 65.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.506 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.87 -23.08 28.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.28 -38.62 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 75.0 m -45.35 -41.96 9.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.487 ' OE1' HD21 ' A' ' 62' ' ' LEU . 8.8 pt20 -60.24 -36.81 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 79.9 mt -66.18 -43.25 87.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.44 ' CD2' HG11 ' A' ' 76' ' ' VAL . 22.8 m-85 -65.72 -34.7 78.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -69.01 -48.02 64.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.0 97.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -59.48 -24.6 63.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.0 33.03 5.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.561 HD11 ' HG3' ' A' ' 110' ' ' PRO . 29.8 mt -96.51 -17.18 20.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 149' ' ' LEU . 8.6 mt -118.71 -67.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.28 -162.87 21.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.28 34.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 39.96 53.77 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -103.25 121.03 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 143' ' ' LEU . 40.0 mt -57.98 151.45 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.546 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 17.0 m-85 -103.4 -178.15 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.63 159.34 33.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -60.35 -48.74 80.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.32 -53.75 40.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -54.69 -44.85 73.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -56.24 -47.63 78.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -51.1 -33.08 24.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.49 -38.66 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 142' ' ' LEU . 65.6 mt -58.24 -28.67 65.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -86.02 -32.11 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 163' ' ' GLY . 23.6 t70 -58.97 -53.01 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -41.31 -32.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 164' ' ' SER . 94.9 m-85 -78.81 -36.57 42.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -51.99 90.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 162' ' ' PHE . 16.5 m -76.22 80.92 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 165.09 176.65 36.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 155.29 66.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 22.4 t -136.52 135.69 38.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 30.7 t -119.14 121.75 40.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 t 58.71 42.22 20.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.4 p -79.68 95.36 5.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.34 143.53 11.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -121.55 87.25 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.879 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.4 m -86.38 130.86 34.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.51 48.67 6.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.75 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 p -78.41 116.07 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -55.07 -53.59 53.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -103.48 143.76 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt -79.7 -46.48 17.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.9 mt -43.07 -38.61 2.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.39 -41.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -86.96 -37.66 17.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 13.1 m-85 -105.3 94.84 8.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.1 Cg_endo -69.67 -43.82 2.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.375 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -123.3 76.69 52.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.533 0.682 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.27 29.84 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -65.33 -43.93 89.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 m120 -87.09 -33.24 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -61.29 -68.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 tp -46.29 -58.2 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -55.06 -42.4 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.5 m -57.68 -45.57 85.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 72' ' ' LEU . 43.2 t -50.22 -71.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.713 ' CG2' HD12 ' A' ' 81' ' ' LEU . 63.4 mt -53.81 -36.65 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.432 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -27.41 59.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -90.71 -44.21 9.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.77 64.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.713 HD12 ' CG2' ' A' ' 77' ' ' ILE . 8.0 mt -105.58 -66.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 84' ' ' SER . . . 158.06 124.62 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 82' ' ' GLY . 15.6 mm -33.83 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' GLY . 3.8 m -62.39 -54.33 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' LYS . 94.7 m-70 -62.51 -58.96 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -36.3 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' HIS . 28.4 ttmt -46.03 -51.04 14.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 90' ' ' LEU . 21.0 t0 -83.95 -51.29 7.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 6.2 mtpp -39.59 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' ASP . 88.6 mt -119.71 99.7 6.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.92 146.56 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 4.0 m-85 -118.51 119.12 33.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -103.16 111.03 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.53 138.35 32.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 p -129.82 134.02 47.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -109.04 153.09 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 162.71 -90.19 0.11 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -179.03 2.61 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.92 -45.66 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -82.95 143.16 30.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -86.37 151.08 23.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HE2' ' CD ' ' A' ' 116' ' ' GLU . 22.0 tttm -131.16 128.75 40.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.0 t -125.64 121.38 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.6 m -96.69 105.29 17.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.3 tp -80.98 102.61 10.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -83.2 103.01 12.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 133' ' ' ALA . 13.0 mt -96.44 148.26 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.0 mmtp -116.39 -41.07 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CD1' HD11 ' A' ' 81' ' ' LEU . 54.6 t90 -100.39 138.08 20.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.533 0.683 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.5 Cg_endo -69.81 -41.19 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.346 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 3.8 ptmt -113.11 171.39 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.0 m -77.2 101.35 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.634 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -132.17 165.7 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.473 ' H ' HG12 ' A' ' 113' ' ' VAL . 2.7 mp0 -147.2 142.8 27.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 129' ' ' ALA . 25.9 m -134.68 161.95 39.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' CD ' ' HE2' ' A' ' 102' ' ' LYS . 60.3 mm-40 -107.02 151.26 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -138.92 118.7 1.6 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 11.9 m-85 -105.21 162.01 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.98 170.96 34.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 m -67.84 -55.11 14.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -104.94 -178.04 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -63.38 -45.74 89.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 tp -61.48 -39.38 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -62.83 -47.71 82.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.407 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 127' ' ' ARG . 24.1 mt-10 -60.56 -61.99 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' GLU . 23.5 mtp85 -35.64 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.72 -47.93 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.573 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -50.72 -50.87 54.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.64 97.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.71 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.27 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -90.26 -37.11 14.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.6 m -45.21 -38.85 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -35.67 81.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.47 -37.42 82.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.33 -53.18 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.626 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.1 ptmm? -61.14 -37.49 83.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.84 -43.77 90.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.535 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.634 ' HH2' HG21 ' A' ' 113' ' ' VAL . 19.1 m0 -62.62 -26.96 68.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.41 33.68 2.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.421 HD23 HD13 ' A' ' 158' ' ' LEU . 38.6 mt -96.2 -33.96 11.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.888 0.375 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.626 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.3 OUTLIER -113.27 -63.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 124.13 -160.88 18.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -95.52 29.55 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 40.61 45.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.32 124.69 39.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.427 ' CD2' HG22 ' A' ' 76' ' ' VAL . 65.7 mt -65.54 173.54 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.457 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 25.3 m-85 -124.74 177.6 5.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -71.5 138.48 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -39.05 -50.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.054 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.401 ' HA ' ' NH2' ' A' ' 156' ' ' ARG . . . -49.32 -60.79 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.457 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 24.7 tttm -49.2 -42.03 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.57 -46.8 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 153' ' ' ALA . 29.3 mtm105 -53.23 -39.55 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.59 -36.72 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 142' ' ' LEU . 46.1 mt -60.31 -50.56 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.433 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -57.03 -34.25 68.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.98 -46.56 71.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -28.51 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.408 ' CG ' ' HB2' ' A' ' 110' ' ' PRO . 42.4 m-85 -86.2 -39.16 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 175.13 167.06 33.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 28.2 m -89.92 133.4 34.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -155.74 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 145.44 56.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.307 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 37.0 m -99.87 -175.64 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 85.6 p -116.1 150.9 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 m -91.62 96.07 10.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -78.72 -48.8 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.5 71.1 0.31 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.45 ' CB ' ' HA2' ' A' ' 139' ' ' GLY . 43.7 m -78.29 -52.79 8.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.8 p -112.23 156.94 21.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.47 -73.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.65 148.95 44.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -103.42 -43.88 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.7 ttm105 -87.46 157.26 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 50.36 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 132' ' ' ALA . 31.0 mt -66.01 -41.94 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.0 mt -43.5 -40.68 3.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -40.75 -40.46 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -86.26 -39.18 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 24.2 m-85 -105.56 106.21 55.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HG2' ' NE2' ' A' ' 68' ' ' GLN . 53.9 Cg_endo -69.81 -47.83 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' NE2' ' HG2' ' A' ' 67' ' ' PRO . 1.8 pm0 -125.7 83.07 62.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.61 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -51.12 -30.51 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.2 -49.24 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.622 HD21 HD22 ' A' ' 143' ' ' LEU . 5.9 tt -54.64 -54.61 39.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD23 HD13 ' A' ' 90' ' ' LEU . 11.2 tp -53.83 -57.16 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -51.88 -49.66 62.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.5 m -49.65 -40.87 41.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG11 ' HD2' ' A' ' 137' ' ' PHE . 88.2 t -53.78 -69.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CD1' HD21 ' A' ' 90' ' ' LEU . 37.2 mt -58.86 -33.01 48.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.6 -21.76 60.83 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -94.6 -44.29 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 155' ' ' TYR . . . -65.77 -58.93 4.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 77' ' ' ILE . 12.1 mt -95.41 -65.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.94 129.16 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.6 mm -39.84 -38.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.0 m -60.81 -56.65 18.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -61.53 -44.67 96.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.63 -42.47 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -38.63 -53.31 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -45.6 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -43.83 -47.73 8.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.554 HD21 ' CD1' ' A' ' 77' ' ' ILE . 37.0 mt -98.92 111.35 23.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -113.21 141.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.578 ' CE1' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -114.74 115.85 27.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.7 t -100.64 107.85 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -85.2 119.72 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 p -108.95 150.92 27.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -122.89 159.41 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 153.26 -86.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -42.58 -32.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.51 156.47 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -98.73 149.14 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -133.76 131.1 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.74 118.57 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.0 m -94.78 108.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 92' ' ' TYR . 17.4 tp -81.16 106.81 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.543 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.0 m-70 -88.7 104.49 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.53 HG23 ' CD2' ' A' ' 90' ' ' LEU . 15.6 mt -98.45 148.57 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 111' ' ' LYS . 18.6 mmtp -115.74 -41.77 3.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.3 t90 -100.3 138.23 20.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.1 Cg_endo -69.78 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.333 -0.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.7 169.63 8.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.4 p -78.03 108.81 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -142.56 167.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.2 mp0 -147.93 149.84 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 129' ' ' ALA . 18.2 m -138.07 157.21 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.64 141.43 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -128.4 108.87 0.95 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.34 158.07 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.993 0.425 . . . . 0.0 110.89 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.79 154.19 9.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 t -67.97 -44.43 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -103.66 159.84 15.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -57.71 -28.62 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.6 tp -78.27 -28.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.55 -39.98 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.66 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -61.04 -50.86 71.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -49.65 -51.4 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -53.31 -58.12 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.574 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -38.49 -58.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -54.76 -55.55 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.57 -41.95 43.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -56.13 -30.41 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.509 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -86.43 -29.31 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.4 m -51.61 -45.03 63.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -58.03 -30.94 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.14 -42.35 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.611 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.0 m-85 -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.34 -53.51 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.45 ' HA2' ' CB ' ' A' ' 55' ' ' SER . . . -64.11 -37.18 94.21 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -60.73 -30.8 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.07 30.91 4.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 110' ' ' PRO . 41.1 mt -99.92 -30.99 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.622 HD22 HD21 ' A' ' 72' ' ' LEU . 9.9 mt -104.01 -63.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.55 -166.57 12.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -47.15 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -102.89 33.38 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 13.6 m120 40.51 52.22 2.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -99.96 98.02 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 81.2 mt -44.02 159.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -110.09 -175.47 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.63 156.08 39.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.629 ' HB1' ' NH1' ' A' ' 156' ' ' ARG . . . -61.92 -30.32 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -70.48 -55.75 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -53.25 -33.35 52.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.447 ' HB3' ' CB ' ' A' ' 80' ' ' ALA . 4.1 m-85 -62.42 -53.81 49.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.629 ' NH1' ' HB1' ' A' ' 152' ' ' ALA . 0.1 OUTLIER -50.71 -41.11 55.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.94 -39.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.402 HD13 HD23 ' A' ' 142' ' ' LEU . 33.9 mt -56.99 -53.08 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.484 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -51.17 -42.27 60.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -48.46 -48.04 37.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -49.81 -27.99 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -89.77 -40.39 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -150.59 129.92 3.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 5.2 m -52.8 173.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 173.32 151.32 8.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 87.07 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 13.3 m 46.24 41.83 9.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 53.7 p -169.69 153.9 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 m -109.65 86.76 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -169.09 111.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.7 157.89 16.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.1 p -149.98 135.73 18.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.7 p -141.86 128.32 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.94 -144.64 10.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.59 167.93 6.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.2 p -99.52 147.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -158.71 154.62 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -38.48 120.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 132' ' ' ALA . 24.1 mt -66.61 -41.03 89.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.7 -35.59 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -43.9 -44.81 7.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -84.17 -38.15 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 25.3 m-85 -106.28 99.62 24.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.3 Cg_endo -69.84 -44.4 2.05 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.242 . . . . 0.0 112.301 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -123.81 78.96 56.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.91 30.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -69.53 -39.98 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -89.23 -40.13 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.749 HD21 ' ND2' ' A' ' 147' ' ' ASN . 5.5 tt -58.29 -57.54 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD23 HD13 ' A' ' 90' ' ' LEU . 13.2 tp -56.74 -60.79 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -50.49 -41.36 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -57.96 -28.73 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.64 ' CG2' HD21 ' A' ' 143' ' ' LEU . 92.6 t -66.06 -75.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 90' ' ' LEU . 54.7 mt -51.96 -35.85 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -58.1 -30.59 64.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.492 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.2 ttm-85 -86.96 -41.42 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.05 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -97.33 -69.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 165.39 121.7 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.467 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.5 mm -35.59 -36.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -64.71 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' GLY . 94.8 m-70 -68.81 -41.74 78.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -43.17 -36.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ALA . 34.6 tptt -37.66 -53.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.34 -42.6 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -43.6 -43.77 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.604 ' CD2' HG23 ' A' ' 107' ' ' ILE . 30.4 mt -106.67 108.87 20.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.76 138.52 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CE1' HD13 ' A' ' 105' ' ' LEU . 5.5 m-85 -116.19 121.01 40.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.1 t -112.17 116.89 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -90.1 159.69 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 t -138.37 167.2 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -135.4 174.0 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 128.19 -85.56 0.33 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 176.77 6.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -82.3 15.3 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.1 130.22 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' N ' ' HE3' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -82.37 127.17 32.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 tttm -119.57 130.55 55.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 t -124.17 123.52 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.2 m -97.94 106.6 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 92' ' ' TYR . 26.0 tp -81.44 102.77 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -86.15 100.94 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 90' ' ' LEU . 9.6 mt -95.51 148.84 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 111' ' ' LYS . 37.9 mmtt -117.52 -43.07 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.551 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 37.6 t90 -100.67 138.65 20.15 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.527 0.68 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.732 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.2 Cg_endo -69.8 -41.8 0.85 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -111.35 169.53 8.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.4 m -80.0 107.15 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 114' ' ' GLU . 2.8 t -140.69 164.58 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.448 ' N ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -145.42 146.18 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 m -137.45 157.54 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -104.71 144.48 31.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.16 112.47 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -97.42 167.71 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.91 164.67 24.0 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.5 m -61.04 -57.66 11.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -106.63 178.68 4.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -64.03 -27.86 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 tp -75.66 -31.26 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.41 -38.98 48.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.73 -41.96 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.37 -57.07 11.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -41.88 -56.29 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -49.97 -56.36 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.51 -56.7 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.53 -54.98 33.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.37 -40.38 59.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -57.93 -22.69 50.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.402 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.71 -33.52 14.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.9 m -49.39 -33.05 12.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 7.5 pt20 -71.51 -31.79 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 93.0 mt -71.69 -44.79 63.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.539 ' CD2' HG11 ' A' ' 76' ' ' VAL . 27.1 m-85 -59.74 -51.68 68.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -34.89 78.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.23 -29.18 72.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -80.75 -23.08 39.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 108.48 26.53 5.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 158' ' ' LEU . 27.0 mt -100.03 -28.36 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.64 HD21 ' CG2' ' A' ' 76' ' ' VAL . 88.5 mt -111.24 -67.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 117.83 -170.21 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.52 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.7 7.38 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -107.88 35.36 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.749 ' ND2' HD21 ' A' ' 72' ' ' LEU . 3.7 t-20 40.26 54.49 2.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -99.04 109.33 22.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 43.5 mt -57.57 179.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 149' ' ' LEU . 22.4 m-85 -138.93 165.76 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.21 156.27 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.07 -29.58 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.71 12.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -53.62 -35.33 60.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -64.91 -47.99 75.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -50.67 -36.06 33.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 52.1 t -82.37 -38.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.774 HD13 HD23 ' A' ' 142' ' ' LEU . 39.5 mt -56.3 -51.86 66.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.63 -49.12 75.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 163' ' ' GLY . 10.7 t70 -41.23 -60.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 160' ' ' ASP . 56.6 mtp180 -35.22 -36.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 160' ' ' ASP . 42.1 m-85 -87.18 -39.77 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -37.08 127.19 1.16 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 163' ' ' GLY . 66.5 m -36.52 147.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 95.18 83.25 1.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 128.14 15.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.26 . . . . 0.0 112.358 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.6 p -146.4 121.5 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.2 t -124.76 109.59 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -106.4 -33.5 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.4 p -124.22 157.72 34.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.14 54.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.2 t -160.56 106.14 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.0 p -100.0 133.85 43.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.0 105.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.52 -47.31 73.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.9 p -121.0 36.63 4.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmt-85 -119.78 171.19 8.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -100.68 126.27 47.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 132' ' ' ALA . 47.2 mt -47.08 -39.46 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.68 -42.03 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -41.8 -43.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.81 -47.4 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -102.71 96.66 7.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.92 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -119.68 75.32 18.97 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.51 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.0 Cg_endo -69.77 -23.8 30.35 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -67.62 -33.98 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -95.66 -40.18 9.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.98 -67.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD23 HD13 ' A' ' 90' ' ' LEU . 11.2 tp -42.38 -58.12 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -50.99 -53.26 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -48.21 -47.15 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.5 HG11 ' HD2' ' A' ' 137' ' ' PHE . 58.6 t -46.39 -72.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.443 ' CG2' HD12 ' A' ' 81' ' ' LEU . 57.6 mt -56.87 -34.48 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.76 -29.6 72.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -87.68 -35.61 17.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.13 -55.03 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD21 ' CD1' ' A' ' 109' ' ' TRP . 12.4 mt -100.74 -61.45 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.41 128.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.467 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.738 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.3 mp -39.95 -36.68 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -60.88 -54.33 46.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' LYS . 97.0 m-70 -64.68 -47.96 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' HIS . . . -35.56 -33.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' HIS . 67.3 mttt -39.91 -64.7 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 25.8 t70 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ASP . 22.0 mmtm -36.39 -38.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD13 HD23 ' A' ' 73' ' ' LEU . 82.9 mt -114.74 106.82 14.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.92 139.24 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -114.56 121.87 44.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -107.77 107.16 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -81.56 123.03 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 p -119.78 136.07 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -106.41 143.38 34.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.63 -95.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -58.57 -37.33 75.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -93.51 152.73 18.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -90.79 153.43 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -126.92 136.78 52.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.499 HG21 ' HG2' ' A' ' 126' ' ' GLU . 17.5 t -131.7 118.79 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.6 m -96.54 106.31 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' HB3' HG23 ' A' ' 115' ' ' VAL . 17.4 tp -80.97 104.62 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.456 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 7.2 m-70 -86.41 105.28 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 14.5 mt -99.05 149.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 111' ' ' LYS . 34.5 mmtt -117.74 -42.76 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 40.0 t90 -100.5 138.39 20.15 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.661 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.5 Cg_endo -69.72 -41.15 0.95 Allowed 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.309 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 108' ' ' LYS . 6.2 ptmt -113.15 169.9 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 m -79.19 107.74 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.73 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -139.94 167.86 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.527 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.4 mp0 -147.48 147.48 30.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 105' ' ' LEU . 15.8 m -139.39 150.93 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -99.96 137.84 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -136.0 117.66 1.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 118' ' ' TYR . 2.2 m-85 -107.4 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 124' ' ' ASP . . . 165.53 144.25 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.75 -49.25 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HD3' ' CG ' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -99.84 -176.44 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.832 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -70.01 -43.99 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.521 ' O ' ' CB ' ' A' ' 127' ' ' ARG . 1.4 tp -62.66 -43.95 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.482 ' CB ' ' HA3' ' A' ' 119' ' ' GLY . 19.2 m-20 -55.88 -37.11 68.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.423 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -66.51 -72.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HG2' HG21 ' A' ' 103' ' ' VAL . 11.9 mt-10 -54.05 -37.81 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 123' ' ' ILE . 40.0 ttp180 -58.51 -40.79 83.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.5 -48.03 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.1 -50.68 61.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.07 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -63.01 -36.86 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.466 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -62.39 -22.06 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -92.23 -38.2 12.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 99.2 m -45.13 -36.75 3.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 13.7 pt20 -68.06 -32.88 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 92.7 mt -70.67 -36.68 73.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.5 ' HD2' HG11 ' A' ' 76' ' ' VAL . 16.1 m-85 -67.89 -49.66 60.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.638 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.9 ptmm? -63.09 -46.8 85.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' N ' ' CG ' ' A' ' 138' ' ' LYS . . . -60.17 -38.85 95.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.73 ' HH2' HG21 ' A' ' 113' ' ' VAL . 25.5 m0 -66.45 -24.41 66.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.4 27.89 5.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.661 HD11 ' HG3' ' A' ' 110' ' ' PRO . 35.5 mt -93.3 -30.47 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -116.63 -58.85 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.12 -163.89 14.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -36.34 10.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -103.7 29.3 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 40.02 46.82 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -93.04 125.72 37.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.91 174.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.487 ' CE2' ' O ' ' A' ' 142' ' ' LEU . 24.8 m-85 -133.88 179.17 6.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.76 131.86 44.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -40.06 -40.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.24 -59.19 5.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.4 ' HA ' HD12 ' A' ' 158' ' ' LEU . 8.1 m-85 -53.16 -48.83 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -51.13 -42.77 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 66.0 t -74.89 -38.72 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 155' ' ' TYR . 59.7 mt -56.27 -54.55 44.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.485 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -53.62 -36.07 61.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.32 -41.54 84.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -56.07 -13.88 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -99.39 15.43 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -140.42 -120.96 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 12.3 t -90.81 112.0 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 169.9 -77.11 0.1 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -5.94 17.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.302 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 20.2 m 65.83 44.12 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 28.1 t -83.77 157.72 21.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 t -63.75 155.67 29.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 p -135.67 168.43 19.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.57 105.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' SER . 8.8 t -141.1 176.91 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . 32.8 p 37.92 42.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.11 143.9 10.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.06 110.17 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.2 m -68.06 -57.1 6.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -97.26 132.17 43.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.38 157.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 132' ' ' ALA . 43.8 mt -79.03 -43.15 24.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -46.95 -35.72 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.54 -40.0 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.44 -35.36 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 6.8 m-85 -108.43 94.11 12.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.9 Cg_endo -69.73 -40.4 5.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.283 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -126.18 79.4 69.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.545 0.688 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -23.8 30.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -66.75 -49.76 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -80.65 -33.42 35.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 72' ' ' LEU . 6.0 tt -64.95 -65.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.536 HD23 HD13 ' A' ' 90' ' ' LEU . 13.1 tp -48.41 -58.17 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -52.65 -46.43 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -52.97 -43.04 66.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG11 ' CD2' ' A' ' 137' ' ' PHE . 96.4 t -51.37 -74.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.65 -31.51 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.48 -33.54 71.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -85.65 -45.84 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.29 -52.41 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.404 HD11 ' CD1' ' A' ' 109' ' ' TRP . 12.5 mt -107.55 -69.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 163.03 128.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.749 ' H ' HD12 ' A' ' 83' ' ' ILE . 4.5 mp -39.84 -38.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.1 p -61.7 -52.44 64.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -66.37 -44.37 83.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.3 -33.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -41.66 -58.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 -43.96 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -41.64 -41.37 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.536 HD13 HD23 ' A' ' 73' ' ' LEU . 39.2 mt -107.94 112.93 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.6 t -114.91 143.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.51 119.12 32.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.79 120.22 59.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -91.39 155.74 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 t -137.88 133.79 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -114.58 122.02 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.62 -69.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.637 2.225 . . . . 0.0 112.353 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -50.79 -60.09 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 151.25 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -80.08 145.84 32.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -128.77 129.7 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -121.78 128.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 86.5 m -103.2 109.34 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 115' ' ' VAL . 18.1 tp -81.08 111.2 17.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -92.95 104.69 16.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 90' ' ' LEU . 17.1 mt -99.29 145.75 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 43.6 mmtt -114.33 -42.41 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.551 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 51.4 t90 -100.82 138.88 20.17 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.513 0.673 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.677 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.2 Cg_endo -69.78 -41.32 0.93 Allowed 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.284 -0.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.8 ptmt -112.02 169.77 8.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -80.46 109.39 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 114' ' ' GLU . 5.6 t -144.03 166.57 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.542 ' N ' HG12 ' A' ' 113' ' ' VAL . 4.9 mp0 -144.34 153.4 41.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 129' ' ' ALA . 20.5 m -144.34 158.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -102.88 150.28 23.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -141.41 108.01 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -96.31 167.11 11.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.66 160.53 18.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.6 m -64.05 -44.1 93.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.945 0.403 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -114.3 -179.56 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -63.5 -44.78 93.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.519 HG23 ' OD1' ' A' ' 124' ' ' ASP . 3.9 tp -63.37 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.519 ' OD1' HG23 ' A' ' 123' ' ' ILE . 3.7 m-20 -63.38 -43.54 97.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.98 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.67 -48.89 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -51.1 -44.03 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -60.98 -56.08 25.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.431 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -40.35 -51.57 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.17 -57.52 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.76 -42.97 37.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -55.08 -27.53 45.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.79 -34.36 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 80.5 m -46.48 -38.0 8.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -34.32 75.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.58 -39.01 81.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.417 ' CD2' HG11 ' A' ' 76' ' ' VAL . 14.8 m-85 -66.6 -51.79 52.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.698 ' HB3' HD12 ' A' ' 143' ' ' LEU . 3.8 ptmm? -60.1 -39.6 86.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.28 -39.41 97.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 26.0 m0 -69.05 -25.45 64.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.793 0.33 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.76 30.73 4.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.677 HD11 ' HG3' ' A' ' 110' ' ' PRO . 30.8 mt -95.61 -24.98 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' A' ' 138' ' ' LYS . 0.5 OUTLIER -119.33 -68.87 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 130.19 -163.21 23.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.11 5.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -99.3 28.59 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 15.2 p30 41.37 48.91 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -98.8 133.73 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.81 179.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 19.3 m-85 -130.97 -174.25 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 152' ' ' ALA . 0.8 OUTLIER -81.12 130.54 35.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.03 -46.44 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.59 -60.17 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.415 ' HD3' ' CB ' ' A' ' 150' ' ' PHE . 11.1 tttp -49.84 -42.68 47.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -57.3 -45.0 84.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -54.07 -39.77 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.3 t -78.4 -43.59 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.583 HD13 HD23 ' A' ' 142' ' ' LEU . 50.3 mt -51.87 -33.85 38.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.482 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.11 -31.88 39.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 163' ' ' GLY . 11.1 t0 -55.21 -58.09 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -41.39 -31.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' A' ' 110' ' ' PRO . 66.2 m-85 -88.61 -36.4 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . 147.36 152.76 5.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.3 t -93.7 -62.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 119.52 -91.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.97 23.05 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 2.0 t -72.87 141.73 47.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 6.1 m -61.23 -47.06 87.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 p -101.1 151.94 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.836 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 80.7 p -79.23 110.72 14.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.53 64.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -84.06 43.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.7 m -123.34 118.03 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.67 -109.69 3.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.61 123.11 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.817 0.341 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 t -68.31 161.51 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.21 115.95 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.01 104.26 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 132' ' ' ALA . 27.6 mt -64.48 -45.35 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 mt -42.97 -36.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -43.88 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -86.72 -35.58 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 9.2 m-85 -110.33 98.13 34.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.0 Cg_endo -69.75 -45.22 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.378 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -124.1 79.02 59.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.535 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.2 Cg_endo -69.8 -37.3 9.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -60.16 -34.53 73.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -92.43 -41.14 10.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.9 tt -59.6 -56.36 22.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.3 tp -51.64 -56.51 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.953 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -50.74 -56.87 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.46 -49.21 7.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.541 HG21 HD21 ' A' ' 143' ' ' LEU . 62.2 t -48.38 -73.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.603 ' CD1' HD21 ' A' ' 90' ' ' LEU . 67.4 mt -51.67 -35.26 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.44 -41.34 99.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -76.25 -36.7 58.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB1' ' CZ2' ' A' ' 109' ' ' TRP . . . -66.82 -59.78 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 109' ' ' TRP . 7.5 mt -101.98 -69.37 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 169.54 126.78 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.0 mp -38.7 -37.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.365 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' GLY . 93.2 m-70 -75.35 -53.57 8.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 77' ' ' ILE . . . -39.76 -28.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' HIS . 9.2 mtpm? -53.3 -50.53 64.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -54.06 6.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.568 ' CD ' ' CD1' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.54 -29.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 77' ' ' ILE . 19.2 mt -107.27 102.76 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 t -108.45 141.29 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 13.3 m-85 -119.52 110.12 16.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.1 t -95.67 110.3 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -81.88 127.39 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.6 p -127.08 161.88 27.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -139.3 164.41 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 157.38 -70.07 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 -30.54 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.03 168.97 8.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -89.62 150.93 22.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -128.78 138.12 51.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.53 124.17 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.5 HG22 ' CD2' ' A' ' 106' ' ' HIS . 97.6 m -98.53 106.87 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 26.0 tp -82.19 112.07 18.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.2 m-70 -96.13 103.55 15.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.426 HD11 ' CB ' ' A' ' 133' ' ' ALA . 23.6 mt -94.83 151.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 44.3 mmtt -117.88 -42.43 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.653 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 56.4 t90 -100.56 138.68 20.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.545 0.688 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.2 Cg_endo -69.86 -41.11 0.96 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.312 0.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ptmt -112.74 169.96 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.2 p -78.97 107.67 11.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.09 165.29 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 3.7 mp0 -145.96 150.97 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 28.6 m -141.57 175.95 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 116' ' ' GLU . 28.9 mp0 -119.32 145.81 45.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.483 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -137.25 109.17 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -94.95 169.44 10.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.95 160.71 17.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.5 m -67.02 -50.57 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.845 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -102.98 173.17 6.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -63.97 -39.07 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -68.72 -30.39 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -45.76 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.82 -47.17 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -59.63 -55.51 33.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -42.6 -57.51 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -49.67 -49.88 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.483 ' N ' ' HA3' ' A' ' 117' ' ' GLY . . . -47.17 -54.21 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -58.45 -53.28 60.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.535 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.13 -44.08 64.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -54.49 -26.39 31.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.426 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -88.79 -31.67 18.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.9 m -51.66 -35.85 43.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -62.89 -31.25 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.52 -44.35 62.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.45 ' CD2' HG11 ' A' ' 76' ' ' VAL . 14.6 m-85 -64.55 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -67.07 -51.47 54.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.55 98.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.427 ' HH2' HG21 ' A' ' 113' ' ' VAL . 31.4 m0 -59.0 -33.59 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.24 3.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.673 HD23 HD13 ' A' ' 158' ' ' LEU . 40.4 mt -99.72 -27.51 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.541 HD21 HG21 ' A' ' 76' ' ' VAL . 2.1 mt -111.02 -61.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.47 -163.83 14.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.12 4.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -104.1 32.43 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 p30 39.93 50.98 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.89 111.15 23.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 74.7 mt -44.6 165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.511 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 16.5 m-85 -117.53 -178.38 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.95 134.41 37.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -37.59 -51.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -50.75 -54.65 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.511 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 23.7 tttt -53.83 -45.96 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -54.91 -47.18 74.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -50.23 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 82.1 t -79.96 -39.15 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.673 HD13 HD23 ' A' ' 142' ' ' LEU . 50.8 mt -58.68 -32.14 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.653 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -83.97 -27.65 28.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -64.77 -52.41 57.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -49.62 -27.84 5.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -84.36 -34.49 23.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 173.79 125.26 0.84 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.8 t -58.06 120.27 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -56.65 160.4 8.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 150.94 68.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -80.26 -46.05 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 45.2 m -138.0 169.15 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -116.46 83.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 61.6 p -74.91 156.11 36.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.91 -47.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -69.92 100.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.1 p -93.69 171.42 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -154.68 75.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.72 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.2 m -40.16 -58.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.826 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' NE ' ' HA ' ' A' ' 60' ' ' ARG . 2.6 mmp_? -66.26 149.8 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.7 146.68 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 132' ' ' ALA . 28.7 mt -65.39 -43.58 90.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.8 mt -43.48 -41.46 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -40.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -86.15 -35.73 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 8.6 m-85 -107.68 106.59 58.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.742 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.12 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -129.21 84.1 63.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.85 27.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -65.59 -41.64 92.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -89.87 -41.85 11.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.6 tt -54.9 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.428 HD21 HD21 ' A' ' 105' ' ' LEU . 12.8 tp -48.48 -57.2 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -50.26 -52.12 38.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -50.17 -44.73 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 72' ' ' LEU . 20.2 t -48.25 -71.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -57.81 -34.58 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.11 -29.73 62.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -86.72 -42.07 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.4 -58.34 7.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.69 -65.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' ILE . . . 159.9 126.33 0.84 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' GLY . 20.9 mt -36.5 -46.42 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -52.32 -50.72 61.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' ALA . 97.5 m-70 -69.04 -49.84 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -37.44 -41.88 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -35.57 -64.91 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.11 -47.81 72.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -39.66 -46.8 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 HG23 ' A' ' 107' ' ' ILE . 86.7 mt -99.18 111.03 23.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.6 t -114.15 140.18 36.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.503 ' CZ ' HD13 ' A' ' 105' ' ' LEU . 3.9 m-85 -118.09 122.6 43.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -108.92 106.94 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.42 ' CE1' HG21 ' A' ' 103' ' ' VAL . 29.2 m-70 -84.92 150.33 25.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 t -129.55 154.18 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -133.02 141.23 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.27 -65.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 153.54 68.71 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -41.43 -64.13 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 152.36 25.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -88.23 144.88 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -126.42 137.29 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 94' ' ' HIS . 17.8 t -130.64 119.59 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.8 m -94.59 106.71 18.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.503 HD13 ' CZ ' ' A' ' 92' ' ' TYR . 24.0 tp -81.2 104.68 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 22.3 m-70 -86.89 100.99 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 133' ' ' ALA . 10.8 mt -94.49 149.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 111' ' ' LYS . 42.1 mmtt -116.12 -41.74 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 159' ' ' ALA . 59.2 t90 -100.54 138.13 20.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.0 Cg_endo -69.76 -41.37 0.92 Allowed 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.37 -0.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 108' ' ' LYS . 5.4 ptmt -112.62 170.28 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -78.45 100.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG12 ' N ' ' A' ' 114' ' ' GLU . 10.1 t -131.83 167.62 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.576 ' N ' HG12 ' A' ' 113' ' ' VAL . 2.8 mp0 -148.14 143.31 27.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 129' ' ' ALA . 23.7 m -135.78 154.6 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -98.68 150.55 21.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.73 124.89 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -111.89 164.35 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.59 164.05 22.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 m -59.95 -60.9 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -100.31 174.71 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -59.16 -41.01 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 tp -61.92 -32.12 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.64 -48.46 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.51 -32.95 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.61 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -39.14 -43.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -63.37 -53.53 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -43.29 -48.95 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -64.11 -47.39 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.29 67.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.43 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -61.01 -28.6 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.511 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -85.1 -39.64 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.1 m -43.22 -46.1 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -53.97 -39.73 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.76 -46.4 88.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.607 ' CD2' HD13 ' A' ' 142' ' ' LEU . 43.5 m-85 -61.54 -43.44 98.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -59.84 -57.42 12.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.73 -46.0 90.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -55.33 -38.66 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.85 29.08 3.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 137' ' ' PHE . 54.4 mt -90.47 -32.99 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 76' ' ' VAL . 2.3 mt -106.2 -64.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 128.29 -163.43 21.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -46.48 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 50.1 mmt-85 -105.76 41.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 147' ' ' ASN . 5.3 p-10 40.02 52.26 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -102.53 101.34 11.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 88.5 mt -43.67 164.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.488 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 20.1 m-85 -116.22 177.37 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 134.55 47.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -38.82 -43.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.24 -60.17 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.488 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.4 tttm -48.51 -43.43 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.67 -50.67 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -47.3 -36.08 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.3 t -81.59 -44.6 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 142' ' ' LEU . 38.3 mt -51.08 -36.48 40.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.62 -31.48 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -58.42 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -47.92 -28.65 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -79.97 -40.54 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -155.57 -109.77 0.33 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 30.7 t -166.86 152.36 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.828 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -148.47 89.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 120.81 7.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 30.8 t -64.46 102.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.6 t -89.86 -48.37 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -133.71 -48.22 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.1 p -127.46 122.82 34.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -107.68 75.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.5 m -94.22 86.21 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 m -161.81 158.1 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.68 95.71 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.69 71.15 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -96.48 114.39 26.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -139.24 152.81 47.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' LEU . 1.1 m-20 61.72 34.39 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 132' ' ' ALA . 19.7 mt -39.12 -28.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ASP . 30.9 mt -47.36 -44.62 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 65' ' ' GLU . 12.6 ptpt -40.84 -45.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 14.0 mm-40 -76.74 -43.28 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -111.5 105.13 56.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.681 0.753 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 54.3 Cg_endo -69.69 -46.3 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.732 2.288 . . . . 0.0 112.363 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -120.53 79.62 29.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.6 29.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -70.28 -39.68 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -88.28 -39.01 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.6 tt -58.49 -65.46 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.24 -57.53 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -50.58 -45.44 57.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -55.01 -44.81 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.824 ' CG2' HD21 ' A' ' 143' ' ' LEU . 60.5 t -50.61 -67.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.573 ' CD1' HD21 ' A' ' 90' ' ' LEU . 62.6 mt -60.3 -31.7 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.52 -22.98 66.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -95.45 -40.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.24 -59.43 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 109' ' ' TRP . 10.8 mt -98.8 -62.67 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.16 127.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.1 mt -39.49 -37.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -61.11 -54.66 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -66.44 -43.61 85.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -38.85 -32.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' ALA . 25.4 mmtm -35.86 -64.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' LYS . 17.4 t0 -71.72 -48.12 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' ASP . 48.2 mmtt -34.16 -37.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 77' ' ' ILE . 55.1 mt -116.38 105.35 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.19 141.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.96 122.73 44.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.9 t -107.15 107.62 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -78.79 150.28 32.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -128.37 161.19 30.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -144.02 144.34 31.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.79 -71.94 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 152.15 69.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.57 -46.68 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.18 154.24 20.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -95.68 146.21 24.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' HD2' ' CE1' ' A' ' 118' ' ' TYR . 19.7 tttp -129.7 142.72 50.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 t -137.3 120.19 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.491 HG22 ' CD2' ' A' ' 106' ' ' HIS . 24.5 m -96.02 108.62 21.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 115' ' ' VAL . 21.6 tp -81.25 105.46 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.577 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 18.1 m-70 -88.63 102.88 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 90' ' ' LEU . 12.6 mt -95.99 149.34 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 12.5 mmtp -116.05 -40.43 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.549 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.3 t90 -100.52 138.2 20.09 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.54 0.686 . . . . 0.0 110.951 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.8 -41.12 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.361 -0.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.8 OUTLIER -113.07 170.37 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 p -77.28 106.68 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -138.92 168.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.577 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 4.0 mp0 -147.82 150.47 34.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 105' ' ' LEU . 30.6 m -140.95 153.07 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -100.83 137.69 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.38 127.8 5.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.491 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 m-85 -111.81 162.46 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.4 178.03 40.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -85.19 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -100.23 169.1 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -46.5 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 124' ' ' ASP . 7.5 tp -63.19 -39.63 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 123' ' ' ILE . 1.0 OUTLIER -65.25 -47.55 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.35 -49.43 75.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.37 -46.56 82.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -46.29 -55.47 7.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 129' ' ' ALA . 13.1 mm-40 -51.26 -60.23 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 128' ' ' GLN . . . -35.27 -60.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.08 -56.24 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.77 -41.53 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.687 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -56.63 -24.92 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.89 -31.02 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 74.8 m -48.56 -39.81 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 3.3 pt20 -63.74 -31.51 72.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 81.5 mt -72.25 -40.72 67.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.725 ' HD2' HG11 ' A' ' 76' ' ' VAL . 10.3 m-85 -70.81 -27.16 63.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -72.11 -50.1 30.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.25 -43.01 93.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.461 ' HH2' HG21 ' A' ' 113' ' ' VAL . 30.3 m0 -56.18 -32.1 64.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.27 33.96 3.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.707 HD23 HD13 ' A' ' 158' ' ' LEU . 51.6 mt -96.92 -30.78 12.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.824 HD21 ' CG2' ' A' ' 76' ' ' VAL . 2.6 mt -111.89 -65.6 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 119.82 -166.17 13.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.0 3.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.247 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 62.9 mtm-85 -101.24 32.25 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 41.02 34.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -85.63 109.67 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' A' ' 150' ' ' PHE . 70.0 mt -57.44 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.556 ' CD2' ' HD3' ' A' ' 154' ' ' LYS . 15.9 m-85 -138.17 177.21 8.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -76.01 143.4 41.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 153' ' ' ALA . . . -37.49 -57.98 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 152' ' ' ALA . . . -36.1 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.556 ' HD3' ' CD2' ' A' ' 150' ' ' PHE . 14.6 tttm -57.45 -51.3 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.449 ' HA ' HD12 ' A' ' 158' ' ' LEU . 29.3 m-85 -57.92 -39.78 78.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.1 ttm105 -56.95 -42.51 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.69 -36.67 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.707 HD13 HD23 ' A' ' 142' ' ' LEU . 65.4 mt -57.03 -49.21 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.76 75.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.92 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -48.1 -22.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -91.97 -30.49 16.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 59.87 123.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 86.5 p -86.27 -37.41 18.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 123.54 -94.93 0.51 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 101.01 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.741 2.294 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 168' ' ' SER . 31.8 p -137.93 127.41 24.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 167' ' ' SER . 73.4 m -36.9 125.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.9 p -136.03 151.65 50.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -135.72 148.62 48.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.11 -163.95 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -69.76 151.57 45.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 t -51.03 122.64 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.58 -57.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.85 148.16 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.9 m -94.54 176.15 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.1 mmt-85 -65.78 88.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.814 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -123.57 172.68 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 132' ' ' ALA . 27.2 mt -90.28 -38.92 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 mt -43.87 -36.38 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -46.72 -42.58 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -82.01 -43.99 17.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -102.04 103.0 26.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -41.36 4.46 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.737 2.291 . . . . 0.0 112.328 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -130.32 80.43 70.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 54.1 Cg_endo -69.74 -36.15 11.37 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -62.61 -31.82 72.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -93.96 -35.98 12.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.5 tt -66.33 -61.11 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD23 HD13 ' A' ' 90' ' ' LEU . 11.1 tp -50.41 -58.92 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -49.78 -48.46 50.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 m -50.82 -45.72 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.74 ' CG2' HD21 ' A' ' 143' ' ' LEU . 97.9 t -48.7 -71.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.06 -34.59 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.442 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.14 -22.34 62.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.466 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -93.59 -38.22 11.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.3 -60.12 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -93.61 -67.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 163.84 122.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 3.6 mm -36.49 -37.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.9 p -66.35 -49.41 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 82' ' ' GLY . 96.3 m-70 -64.41 -42.92 95.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -42.58 -40.82 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.5 ttpt -36.11 -58.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.46 -45.55 65.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -45.92 -42.08 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 73' ' ' LEU . 19.0 mt -103.04 108.57 19.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 t -111.66 140.67 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -119.58 123.96 45.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.4 t -119.73 108.24 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.504 ' CG ' HG22 ' A' ' 103' ' ' VAL . 12.4 m-70 -80.42 142.15 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.465 HG22 ' HB3' ' A' ' 102' ' ' LYS . 1.3 t -117.26 124.13 48.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.87 160.67 14.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.5 -69.33 0.53 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.93 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -61.27 -57.28 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -84.33 145.71 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -82.8 148.98 27.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HB3' HG22 ' A' ' 95' ' ' THR . 43.3 tttm -138.43 127.58 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.504 HG22 ' CG ' ' A' ' 94' ' ' HIS . 9.1 t -113.33 134.58 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.0 m -105.51 105.48 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.03 105.79 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.54 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 9.9 m-70 -90.55 103.44 16.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 133' ' ' ALA . 13.4 mt -96.21 148.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 24.2 mmtp -115.71 -42.79 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.555 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 54.0 t90 -100.13 138.58 20.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 54.1 Cg_endo -69.75 -40.73 1.04 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.388 -0.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 2.7 ptmt -114.25 168.27 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 110.24 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 114' ' ' GLU . 5.3 t -144.59 167.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.547 ' N ' HG12 ' A' ' 113' ' ' VAL . 5.0 mp0 -146.43 152.74 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 129' ' ' ALA . 9.8 m -140.52 163.08 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 143.67 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -134.28 115.2 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -100.7 162.54 12.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.0 110.958 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.57 148.79 5.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.9 m -55.25 -51.52 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.949 0.404 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -106.92 172.56 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -53.36 -55.53 24.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 124' ' ' ASP . 4.5 tp -51.77 -55.13 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.576 ' H ' HG23 ' A' ' 123' ' ' ILE . 2.2 m-20 -50.12 -40.2 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.37 -27.95 68.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -64.89 -53.19 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -56.34 -49.22 74.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.518 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.42 -53.57 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -61.55 -53.16 60.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -53.94 -31.42 50.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -66.04 -23.52 66.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.449 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -93.51 -29.77 15.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.81 -33.67 36.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 2.4 pt20 -67.53 -32.95 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 86.9 mt -71.53 -42.88 67.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.502 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.3 m-85 -63.19 -40.71 98.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -64.46 -58.71 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -56.62 -39.73 86.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -59.38 -35.85 74.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.86 29.29 4.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 33.3 mt -90.24 -37.2 14.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.74 HD21 ' CG2' ' A' ' 76' ' ' VAL . 3.6 mt -103.41 -55.59 2.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.89 -169.61 15.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -32.6 18.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -110.89 28.5 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 44.25 49.75 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -100.22 108.29 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.3 mt -48.19 159.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.471 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.9 m-85 -113.59 -179.29 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 152' ' ' ALA . 1.2 m-20 -75.92 131.61 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -36.13 -45.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -54.7 -54.37 42.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.471 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 22.7 tttm -54.38 -40.51 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.52 -49.9 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -48.84 -39.44 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.79 -41.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 42.5 mt -55.05 -51.62 65.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -55.69 -35.89 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 163' ' ' GLY . 9.9 t70 -51.67 -54.76 24.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -41.39 -33.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -82.02 -35.42 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -154.8 -106.07 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 4.3 t -141.2 170.29 16.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -87.86 141.55 17.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -16.3 37.58 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 20.3 m -43.36 130.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 169' ' ' GLY . 8.3 t -60.24 -48.38 81.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 53' ' ' SER . 1.9 m -101.9 42.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' SER . 3.8 m -37.58 140.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.23 -171.28 13.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.4 p -145.98 170.09 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -70.99 104.19 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.13 -104.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.45 140.96 38.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.2 m -39.93 149.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.42 103.64 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -65.28 105.72 1.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 mt -74.73 -38.77 62.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 63' ' ' LEU . 25.2 mt -44.07 -44.2 7.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -42.94 -43.09 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.37 -43.76 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 24.1 m-85 -106.94 104.22 50.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.665 0.745 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.5 Cg_endo -69.82 -49.56 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 0.0 112.344 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -116.57 77.53 8.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.624 0.726 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.448 ' HB2' ' N ' ' A' ' 131' ' ' ALA . 53.7 Cg_endo -69.77 -25.77 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -75.11 -33.37 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.68 -43.11 10.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.5 tt -58.0 -63.25 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 tp -45.89 -58.79 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.42 -54.56 20.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -44.99 -45.25 10.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG21 HD21 ' A' ' 143' ' ' LEU . 65.8 t -50.99 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -55.43 -27.52 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.67 -31.24 80.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -85.82 -48.89 8.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.38 -59.69 4.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 109' ' ' TRP . 11.2 mt -98.63 -68.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.96 129.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 83' ' ' ILE . 4.2 mp -40.88 -36.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p -63.43 -53.15 56.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -64.99 -50.42 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 87' ' ' LYS . . . -39.37 -35.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.1 tptm -36.63 -62.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' LYS . 2.1 m-20 -70.86 -44.55 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' ASP . 54.3 mmtt -36.99 -43.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.448 HD23 HG23 ' A' ' 107' ' ' ILE . 92.7 mt -103.36 111.49 23.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.12 136.92 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.78 121.47 45.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -112.43 110.28 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 122' ' ' LYS . 22.8 m-70 -86.53 142.09 28.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 t -117.62 157.86 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 96' ' ' ASN . 0.9 OUTLIER -136.08 127.26 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.88 -71.07 0.17 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.14 43.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.248 . . . . 0.0 112.368 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -49.49 -53.98 20.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -85.26 145.47 27.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -88.4 142.42 27.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -125.52 152.01 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.488 ' CG2' ' CE1' ' A' ' 94' ' ' HIS . 14.6 t -136.02 120.32 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.4 m -92.68 104.44 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 130' ' ' ALA . 18.5 tp -81.48 104.88 12.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -86.32 104.63 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 133' ' ' ALA . 13.3 mt -98.07 146.34 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 111' ' ' LYS . 22.2 mmtp -112.98 -42.65 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.616 ' CD1' HD21 ' A' ' 81' ' ' LEU . 33.1 t90 -100.08 138.14 20.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.727 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.7 Cg_endo -69.76 -41.24 0.94 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.7 OUTLIER -113.89 168.81 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.6 p -76.79 102.98 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.677 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.7 t -133.98 168.69 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.56 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.6 mp0 -148.22 145.62 28.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 129' ' ' ALA . 23.8 m -138.06 157.83 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -101.02 150.42 22.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.57 118.6 1.91 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -101.45 161.69 13.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.937 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.17 171.27 34.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.7 t -77.8 -52.71 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.95 0.405 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.32 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 94' ' ' HIS . 12.0 ttpp -62.61 -59.35 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.3 tp -54.15 -38.0 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.14 -50.77 70.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.98 87.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.5 -53.81 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -41.02 -52.25 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.01 -51.2 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -45.22 -54.3 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.459 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -59.49 -51.06 71.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.448 ' N ' ' HB2' ' A' ' 69' ' ' PRO . . . -52.66 -40.76 63.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -56.25 -22.65 31.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' A' ' 107' ' ' ILE . . . -92.6 -33.08 14.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 92.5 m -48.4 -39.36 22.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 10.3 pt20 -66.13 -35.51 80.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 69.9 mt -67.68 -40.71 84.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.51 ' HD2' HG11 ' A' ' 76' ' ' VAL . 11.4 m-85 -69.6 -28.32 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -74.78 -45.64 42.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -66.95 -44.39 88.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.677 ' HH2' HG21 ' A' ' 113' ' ' VAL . 24.3 m0 -57.44 -33.14 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 105.49 36.8 2.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.727 HD11 ' HG3' ' A' ' 110' ' ' PRO . 44.3 mt -100.19 -25.72 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.535 HD21 HG21 ' A' ' 76' ' ' VAL . 1.8 mt -110.7 -66.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 127.32 -166.19 20.17 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -92.1 30.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.0 52.38 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -110.26 114.07 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.407 ' CD2' HG22 ' A' ' 76' ' ' VAL . 65.4 mt -44.81 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 15.8 m-85 -115.94 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -79.92 134.48 36.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.632 ' HB1' HH12 ' A' ' 156' ' ' ARG . . . -38.8 -48.27 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -52.55 -56.94 11.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.423 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 25.5 tttp -54.32 -41.28 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -58.72 -48.98 79.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.632 HH12 ' HB1' ' A' ' 152' ' ' ALA . 55.9 mtt85 -50.98 -38.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.81 -42.14 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.675 HD13 HD23 ' A' ' 142' ' ' LEU . 39.3 mt -52.52 -37.49 57.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.59 -27.05 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.04 -59.72 4.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -51.47 -27.36 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -80.37 -38.94 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -137.18 115.04 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.3 t -41.57 -55.34 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 55.73 172.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.79 64.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.1 p -60.98 161.83 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 87.8 p -121.08 -46.79 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -146.81 148.81 32.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.4 p -70.57 159.46 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -132.18 61.52 0.66 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.0 p -125.25 84.29 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 m -107.08 163.47 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.28 112.0 3.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.35 -54.78 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.0 m -138.85 132.32 30.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 61' ' ' ASP . 14.9 ptp180 -53.24 -45.88 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' ARG . 33.6 t0 -35.13 110.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -83.43 -44.49 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.5 mt -43.52 -38.73 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -41.57 -43.78 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.94 -45.1 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 134' ' ' CYS . 9.8 m-85 -104.33 93.73 6.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -117.36 77.16 9.85 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.443 ' HB2' ' CB ' ' A' ' 130' ' ' ALA . 53.7 Cg_endo -69.74 -32.4 18.72 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -64.21 -42.11 96.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -86.79 -42.01 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.618 ' C ' HD23 ' A' ' 72' ' ' LEU . 5.8 tt -60.14 -57.39 13.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.1 -58.12 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -51.34 -50.17 59.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.7 m -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 72' ' ' LEU . 46.5 t -53.03 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.9 mt -55.5 -35.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -26.48 58.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -89.94 -42.81 10.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.63 -59.23 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.79 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.57 125.32 0.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.447 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mm -37.81 -36.43 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.4 m -62.53 -51.25 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -68.9 -44.57 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.4 -35.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 tptt -44.25 -55.57 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.49 -36.82 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -50.63 -45.32 57.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.417 HD23 HG23 ' A' ' 107' ' ' ILE . 91.9 mt -103.88 110.67 22.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.3 t -110.32 143.65 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -119.72 118.71 31.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.3 t -106.9 115.13 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -88.75 128.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 102' ' ' LYS . 1.3 t -108.43 142.15 39.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -118.57 155.32 31.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.94 -66.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.38 67.78 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -46.77 -46.44 20.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -90.95 163.8 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.75 140.15 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HB3' ' CG2' ' A' ' 95' ' ' THR . 40.7 tttm -128.79 131.34 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.415 HG21 ' HG2' ' A' ' 126' ' ' GLU . 11.4 t -118.82 125.81 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 m -97.81 109.63 22.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 130' ' ' ALA . 17.4 tp -81.92 106.58 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.468 ' CE1' ' HG2' ' A' ' 114' ' ' GLU . 13.8 m-70 -91.77 101.84 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' A' ' 133' ' ' ALA . 14.9 mt -93.54 149.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' LYS . 23.2 mmtp -116.42 -43.29 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.577 ' CH2' HD22 ' A' ' 142' ' ' LEU . 46.1 t90 -100.57 138.46 20.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 109' ' ' TRP . 53.6 Cg_endo -69.69 -41.27 0.93 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 -1.777 . . . . 0.0 112.351 -0.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.4 ptmt -112.62 169.78 8.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.7 p -80.07 103.54 10.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.817 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -135.3 168.5 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.55 ' H ' HG12 ' A' ' 113' ' ' VAL . 5.0 mp0 -147.71 153.03 38.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 129' ' ' ALA . 13.9 m -141.6 166.2 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.43 145.0 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.419 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -138.43 107.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.41 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 3.1 m-85 -96.45 162.45 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.897 0.379 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.45 134.64 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.8 t -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -104.05 170.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -57.36 -56.41 22.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.646 ' O ' HD12 ' A' ' 123' ' ' ILE . 0.4 OUTLIER -56.71 -42.01 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.2 -45.97 75.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -57.87 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HG2' HG21 ' A' ' 103' ' ' VAL . 17.8 mt-10 -55.35 -51.31 67.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -43.5 -48.62 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -61.41 -51.4 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.533 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -45.16 -52.08 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . . . -58.44 -52.13 66.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -52.46 -40.82 62.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 115' ' ' VAL . . . -58.56 -21.58 53.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' A' ' 107' ' ' ILE . . . -94.29 -31.64 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 94.5 m -49.29 -38.58 27.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.72 -36.65 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.81 -50.62 55.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.794 ' HB3' HD23 ' A' ' 143' ' ' LEU . 17.9 m-85 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.471 ' HB2' HD11 ' A' ' 143' ' ' LEU . 30.8 tttm -48.79 -58.39 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.37 97.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.817 ' HH2' HG21 ' A' ' 113' ' ' VAL . 29.6 m0 -59.76 -15.1 17.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.88 35.88 30.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.577 HD22 ' CH2' ' A' ' 109' ' ' TRP . 36.3 mt -96.76 -33.67 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.794 HD23 ' HB3' ' A' ' 137' ' ' PHE . 2.6 pp -112.64 -37.75 4.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.722 ' O ' HD12 ' A' ' 143' ' ' LEU . . . 111.59 -171.74 14.49 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -44.05 2.35 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.755 2.303 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 147' ' ' ASN . 15.5 mmp_? -111.66 42.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.543 ' HA ' HD13 ' A' ' 143' ' ' LEU . 0.6 OUTLIER 48.04 44.59 19.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -92.05 84.94 5.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 mt -38.72 158.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -116.36 -178.7 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.24 145.69 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.58 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -48.27 -56.21 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -52.73 -46.88 67.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -53.45 -47.61 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -50.86 -35.55 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.48 -43.83 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 61.9 mt -50.15 -33.74 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -78.44 -42.51 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -47.69 -49.11 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 162' ' ' PHE . 0.0 OUTLIER -51.38 -35.16 37.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.41 ' N ' ' HG2' ' A' ' 161' ' ' ARG . 64.2 m-85 -81.85 -19.58 40.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 123.61 96.64 1.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 2.0 m -163.16 150.17 12.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -150.8 -155.19 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 167' ' ' SER . 53.8 Cg_endo -69.73 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 166' ' ' PRO . 7.7 t -34.47 120.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 41.7 t -90.2 -54.37 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.0 m -65.51 172.06 3.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 t -46.45 -59.18 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 40.78 54.8 3.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.9 t -109.88 110.62 21.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -48.63 109.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.22 -147.19 8.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.84 95.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 p -42.81 159.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 -118.79 172.76 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.65 118.85 0.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.9 mt -65.41 -49.15 70.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.4 mt -43.59 -34.66 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -44.71 -42.45 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -88.71 -39.64 13.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -106.87 87.75 3.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -42.37 3.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.381 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -116.47 74.7 6.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -23.4 31.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -37.74 79.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -93.23 -36.87 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.3 -65.58 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.56 -57.44 8.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -52.07 -48.64 64.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 m -50.13 -42.3 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.6 t -54.3 -74.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.178 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.24 -24.34 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.4 -25.91 71.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -93.81 -34.52 13.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.325 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -57.52 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 109' ' ' TRP . 11.4 mt -100.09 -62.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.01 125.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.4 mt -38.68 -40.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.6 t -60.13 -51.76 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.33 -45.13 81.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.26 -39.48 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -38.44 -60.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -45.59 73.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -44.95 -44.86 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.63 106.21 18.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.3 t -108.07 140.0 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.438 ' CE1' HD13 ' A' ' 105' ' ' LEU . 2.9 m-85 -118.99 112.84 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.8 t -97.82 108.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -74.5 123.05 24.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 p -120.34 167.85 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -134.54 114.8 13.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.77 -153.32 11.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 97.27 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 44.45 30.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' HD3' ' CE2' ' A' ' 118' ' ' TYR . 5.4 ptpt -142.98 142.63 31.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -99.11 135.1 40.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 27.2 tttm -130.44 158.37 40.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.404 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 11.1 t -147.16 119.38 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.465 HG22 ' CD2' ' A' ' 106' ' ' HIS . 64.5 m -94.74 105.85 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.498 ' HB3' HG23 ' A' ' 115' ' ' VAL . 26.5 tp -81.4 104.99 12.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.465 ' CD2' HG22 ' A' ' 104' ' ' THR . 9.8 m-70 -87.59 103.12 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.5 mt -97.04 148.72 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 111' ' ' LYS . 19.8 mmtp -116.27 -42.63 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 43.6 t90 -100.45 138.68 20.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.554 0.692 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.568 ' HG3' HD11 ' A' ' 142' ' ' LEU . 53.4 Cg_endo -69.76 -40.9 1.0 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.343 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 108' ' ' LYS . 1.7 ptmt -113.36 169.15 9.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 77.4 p -77.89 107.92 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 114' ' ' GLU . 2.6 t -140.35 167.44 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.513 ' H ' HG12 ' A' ' 113' ' ' VAL . 4.5 mp0 -147.84 149.94 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 105' ' ' LEU . 6.7 m -142.3 152.1 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.96 150.01 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.505 ' O ' ' HB1' ' A' ' 125' ' ' ALA . . . -143.64 110.96 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.423 ' CE2' ' HD3' ' A' ' 100' ' ' LYS . 2.0 m-85 -97.06 161.88 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.979 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.43 161.72 20.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.6 m -66.86 -53.35 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -105.37 169.79 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -53.87 -51.42 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.25 -30.15 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -68.45 -50.62 51.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 117' ' ' GLY . . . -69.77 -53.1 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -49.47 -40.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -60.82 -52.37 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -52.14 -54.59 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.453 ' O ' HG21 ' A' ' 115' ' ' VAL . . . -44.88 -53.43 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.41 ' HA ' HD22 ' A' ' 105' ' ' LEU . . . -59.14 -50.9 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.08 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.43 -21.42 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -93.34 -37.56 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 69.9 m -45.7 -36.54 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 136' ' ' LEU . 18.8 pt20 -67.81 -35.83 79.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 135' ' ' GLN . 80.4 mt -67.14 -37.81 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.3 -33.97 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -67.17 -51.79 49.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.07 96.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 35.3 m0 -56.92 -32.9 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.18 34.24 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 110' ' ' PRO . 36.1 mt -96.78 -20.95 17.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.378 . . . . 0.0 110.928 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.84 -63.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 122.05 -163.04 15.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -44.03 2.34 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.403 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 146' ' ' ARG . 13.4 mtp-105 -107.0 38.58 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.4 m120 41.12 50.55 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -97.15 98.56 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 65.6 mt -46.68 173.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.476 ' CG ' ' HD3' ' A' ' 154' ' ' LYS . 23.0 m-85 -124.44 171.15 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 152' ' ' ALA . 5.1 m-20 -67.64 134.59 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 151' ' ' ASP . . . -34.09 -53.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -45.98 -64.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.476 ' HD3' ' CG ' ' A' ' 150' ' ' PHE . 27.6 tttm -44.71 -49.36 10.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.505 ' HA ' HD12 ' A' ' 158' ' ' LEU . 8.7 m-85 -52.24 -45.86 65.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 156' ' ' ARG . 0.7 OUTLIER -50.24 -41.47 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.2 t -77.64 -37.36 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 155' ' ' TYR . 44.7 mt -57.78 -52.04 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -56.5 -45.62 80.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 163' ' ' GLY . 11.7 t0 -45.47 -57.45 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 160' ' ' ASP . 7.5 mtp-105 -37.59 -37.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -82.47 -37.48 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 160' ' ' ASP . . . -95.63 -146.72 21.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 78.3 p -150.42 178.09 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 99.62 83.36 1.73 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 156.81 62.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 69.7 m -146.96 144.68 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.8 t -98.82 42.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -105.3 -21.51 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 t -133.09 104.81 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.67 120.47 1.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -84.98 -52.45 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' GLY . 2.2 t -136.85 136.13 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . . . -36.86 -49.18 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.21 142.23 32.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -50.66 108.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -39.05 -42.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -118.12 103.83 10.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 132' ' ' ALA . 52.6 mt -64.59 -48.19 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.1 mt -47.97 -30.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -47.0 -46.77 21.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.42 -37.6 25.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 67' ' ' PRO . 16.7 m-85 -103.64 94.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 66' ' ' PHE . 53.2 Cg_endo -69.78 -45.36 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -125.06 79.09 65.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HG3' ' HB2' ' A' ' 131' ' ' ALA . 53.5 Cg_endo -69.74 -40.72 5.02 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -51.84 -35.76 45.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -92.62 -35.41 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.7 tt -63.92 -59.5 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 tp -52.84 -57.6 9.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -54.56 -46.65 73.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -52.22 -40.77 62.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 72' ' ' LEU . 80.8 t -54.1 -74.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.464 ' CG2' HD12 ' A' ' 81' ' ' LEU . 61.1 mt -51.69 -32.79 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.431 ' HA2' ' N ' ' A' ' 83' ' ' ILE . . . -62.25 -31.07 77.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.0 ttm-85 -86.23 -37.19 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.28 -58.48 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 77' ' ' ILE . 12.0 mt -97.06 -68.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 85' ' ' HIS . . . 161.03 125.86 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' ' HA2' ' A' ' 78' ' ' GLY . 14.5 mm -37.25 -41.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.5 m -60.31 -44.24 95.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' GLY . 52.1 m-70 -71.61 -45.11 63.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -43.58 -38.29 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -41.29 -52.52 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -41.88 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -48.57 -45.68 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.416 ' CD2' HG23 ' A' ' 107' ' ' ILE . 77.2 mt -100.01 111.92 24.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.4 t -113.95 139.74 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 126' ' ' GLU . 7.4 m-85 -115.83 117.82 31.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.0 t -111.13 103.38 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -66.87 127.9 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.9 p -116.23 144.34 44.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -101.78 140.36 36.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -169.65 -121.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' LYS . 53.9 Cg_endo -69.74 169.37 19.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' PRO . 2.4 tppp? -36.66 -35.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -86.26 137.33 32.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -87.38 140.54 29.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -120.32 140.53 51.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.8 t -125.76 124.47 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.7 m -92.08 102.02 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.447 ' HB2' ' HB1' ' A' ' 129' ' ' ALA . 32.1 tp -80.95 101.19 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -82.89 102.5 11.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.416 HG23 ' CD2' ' A' ' 90' ' ' LEU . 13.3 mt -97.44 145.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 111' ' ' LYS . 21.0 mmtp -113.6 -42.2 3.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.554 ' HA ' ' C ' ' A' ' 110' ' ' PRO . 50.5 t90 -100.39 138.26 20.15 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.618 ' HG3' HD11 ' A' ' 142' ' ' LEU . 54.3 Cg_endo -69.69 -41.13 0.96 Allowed 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.329 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -113.51 170.53 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.0 p -78.01 103.37 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.685 HG21 ' HH2' ' A' ' 140' ' ' TRP . 2.6 t -133.17 166.67 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' H ' HG12 ' A' ' 113' ' ' VAL . 3.8 mp0 -147.18 141.61 26.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 105' ' ' LEU . 17.7 m -138.85 164.15 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -108.76 151.18 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 129' ' ' ALA . . . -139.17 127.14 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.424 ' C ' ' HA ' ' A' ' 125' ' ' ALA . 8.5 m-85 -99.64 156.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 168.35 131.11 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.1 m -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.412 ' CE ' ' OD2' ' A' ' 124' ' ' ASP . 0.0 OUTLIER -100.74 165.33 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -49.96 -62.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 124' ' ' ASP . 5.8 tp -51.73 -47.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.5 ' N ' HG23 ' A' ' 123' ' ' ILE . 24.6 m-20 -52.22 -45.86 65.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.424 ' HA ' ' C ' ' A' ' 118' ' ' TYR . . . -62.72 -65.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 92' ' ' TYR . 53.9 mt-10 -46.64 -40.06 12.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -52.79 -57.37 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -50.12 -47.89 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 105' ' ' LEU . . . -50.09 -52.71 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.13 -49.69 73.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . . . -57.65 -44.42 85.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.485 ' HA ' HD13 ' A' ' 62' ' ' LEU . . . -53.41 -31.55 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.51 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' CYS . . . . . . . . . . . . . 84.8 m -50.5 -33.3 20.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -33.66 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.85 -36.69 70.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -66.72 -50.81 61.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.593 ' HB3' HD12 ' A' ' 143' ' ' LEU . 2.8 ptmm? -61.09 -37.25 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -68.3 -42.72 82.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.685 ' HH2' HG21 ' A' ' 113' ' ' VAL . 18.4 m0 -62.69 -30.16 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.66 28.79 3.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 110' ' ' PRO . 36.5 mt -95.95 -33.45 12.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 138' ' ' LYS . 2.6 mt -108.83 -64.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 121.56 -167.31 14.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.44 6.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -104.05 29.4 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.0 p30 42.84 52.0 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.58 109.48 21.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 61.2 mt -49.9 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -132.96 -175.03 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.56 150.13 39.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -53.03 -45.72 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -53.32 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -44.58 -43.73 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -56.58 -48.51 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.423 ' NH2' ' HB3' ' A' ' 168' ' ' SER . 58.1 mtp180 -48.65 -38.42 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.18 -40.53 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.454 HD13 HD23 ' A' ' 142' ' ' LEU . 68.1 mt -56.03 -32.81 64.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.465 ' HB2' ' CZ2' ' A' ' 109' ' ' TRP . . . -80.87 -33.25 34.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.88 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -42.74 -31.97 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -85.67 -40.53 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . -142.93 115.4 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 24.7 p -75.17 175.13 8.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 154.22 -150.61 22.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 130.37 19.21 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 68.9 m -117.17 -178.38 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.423 ' HB3' ' NH2' ' A' ' 156' ' ' ARG . 89.7 p -90.45 137.94 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 stop_ save_