data_1wi1_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 1wi1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -156.6 134.0 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -127.89 155.02 44.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.86 152.09 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -64.82 140.41 58.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD11 ' CZ2' ' A' ' 101' ' ' TRP . 67.1 mt -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.0 m95 -103.02 117.94 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.71 148.7 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.17 125.62 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.74 -159.93 11.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -102.72 -43.7 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -93.5 -31.35 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 HG23 ' CE3' ' A' ' 22' ' ' TRP . 21.8 m -126.31 166.59 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.412 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.9 m-90 43.64 31.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -38.34 -38.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 151.14 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.488 ' CD2' HD23 ' A' ' 72' ' ' LEU . 50.6 t-105 -99.39 94.1 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -145.86 155.43 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.6 ttpp -67.7 106.94 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -126.02 155.93 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE2' HG22 ' A' ' 31' ' ' VAL . 14.3 t80 -59.29 139.61 56.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -139.29 129.8 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 HG22 ' CE2' ' A' ' 29' ' ' PHE . 96.6 t -136.05 126.75 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -85.25 109.53 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -105.84 155.39 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.5 tt0 -104.12 105.94 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.41 -57.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -124.25 168.44 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 9.6 mt-30 -40.63 -42.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.5 38.11 4.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.85 131.72 24.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 6.6 m-85 -131.81 165.85 22.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.6 149.57 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.05 102.8 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.4 m -95.53 120.74 36.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.739 0.224 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -60.53 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -109.49 147.43 32.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 56' ' ' LEU . 5.5 tp -149.24 134.37 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 55' ' ' LEU . 16.4 tp -132.33 108.44 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -67.68 124.35 23.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.2 mt -85.09 31.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 17.8 p-10 -78.86 76.88 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . 125.51 -41.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.1 m-85 -37.43 135.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 0.0 110.952 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.7 m -110.41 94.09 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.44 HG21 ' N ' ' A' ' 64' ' ' ASP . 6.7 p -83.31 136.1 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.44 ' N ' HG21 ' A' ' 63' ' ' VAL . 1.8 p-10 -164.58 151.39 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.24 130.23 41.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 t -140.68 149.88 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.87 157.72 7.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.3 Cg_endo -69.78 107.83 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -62.94 142.75 97.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.82 -61.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.488 HD23 ' CD2' ' A' ' 25' ' ' TRP . 34.9 mt -56.28 106.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -119.63 64.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.14 -63.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.03 179.02 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -82.89 -69.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.55 144.87 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.9 m-85 -128.82 129.35 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -155.56 121.65 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -119.59 156.6 30.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.43 135.19 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.84 127.46 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 15.4 tptm -125.26 155.97 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.51 -55.27 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.87 15.47 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -126.61 143.57 51.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.4 m -138.72 122.75 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 90' ' ' PHE . 41.7 t -129.85 140.78 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.3 mt -108.28 153.31 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CE1' HG11 ' A' ' 88' ' ' VAL . 73.6 m-85 -140.06 150.16 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.41 149.03 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 p -122.54 -178.32 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -82.11 -32.17 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 3.4 p-10 -133.99 162.61 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -73.35 -32.28 64.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.29 -46.76 85.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.88 -50.19 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -42.01 -56.32 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.7 mt -48.42 -52.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.35 -29.95 62.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 44.7 m95 -79.49 -42.86 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.15 -42.5 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -59.14 -40.24 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.2 -57.9 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.8 mmm -51.25 -39.71 57.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 6.7 t80 -52.16 -53.58 41.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -66.35 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . . . -54.67 -41.45 70.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 61' ' ' TYR . 29.8 p -84.65 -45.05 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.43 36.61 16.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -60.56 172.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -88.25 -42.2 12.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -89.18 103.38 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 74.8 tttt -67.77 135.64 92.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.55 65.43 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 14.9 p -138.44 136.8 19.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.55 125.58 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -121.13 130.1 53.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.98 163.92 29.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -76.54 131.3 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 110.966 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' CZ2' ' A' ' 101' ' ' TRP . 95.7 mt -146.33 158.68 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 4.6 m95 -100.8 121.53 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.1 147.88 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -146.12 125.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.92 -175.96 14.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -82.71 -52.01 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.301 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -87.81 -35.46 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.6 m -117.98 154.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.418 ' C ' ' N ' ' A' ' 24' ' ' ARG . 4.7 m-90 50.14 34.57 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -43.31 -23.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 22' ' ' TRP . 14.3 ttp180 -112.36 150.13 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.541 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.4 t-105 -85.17 89.19 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -124.2 155.98 37.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 22.1 ttpp -97.27 107.25 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -128.75 169.62 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -71.33 128.22 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 17.7 m-85 -119.61 142.69 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -140.71 125.92 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -79.74 100.4 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.69 150.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 tt0 -104.99 98.41 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.445 ' CG2' ' HB1' ' A' ' 41' ' ' ALA . 5.5 t -62.79 -55.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 m -128.79 -176.05 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -56.89 -45.0 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -117.98 24.76 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 3.9 m -130.4 144.33 51.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 39' ' ' THR . 20.5 m-85 -144.12 160.44 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HB1' ' CG2' ' A' ' 35' ' ' VAL . . . -145.53 147.63 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.42 ' HE2' ' CZ3' ' A' ' 101' ' ' TRP . 40.2 mmm -94.54 102.79 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.0 m -99.78 130.47 45.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.727 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.741 0.225 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -48.08 -47.59 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -114.87 146.61 40.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 tp -152.01 141.47 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.4 tp -132.45 110.01 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -78.47 121.2 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.78 33.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.97 -52.8 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.03 22.1 4.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 15.2 m-85 -75.69 142.46 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.436 ' HB ' ' CG1' ' A' ' 82' ' ' VAL . 17.0 m -117.39 100.63 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.7 p -89.23 132.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.67 157.96 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 11.8 m-85 -64.34 136.07 56.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -147.72 166.13 28.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 155.12 85.02 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.75 107.43 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.42 ' NE2' HG22 ' A' ' 89' ' ' ILE . 15.9 mp0 -53.63 139.18 50.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.726 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.7 -60.72 0.67 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD21 ' CE3' ' A' ' 25' ' ' TRP . 34.3 mt -52.15 111.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -113.7 72.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.452 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -166.51 96.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.27 15.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -90.74 -60.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.65 150.2 38.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 73.4 m-85 -131.33 108.02 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.501 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 13.9 p90 -125.04 122.16 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -117.94 158.76 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.62 153.51 32.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 83' ' ' LYS . 3.9 p -118.19 136.15 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.5 tptm -125.85 156.74 39.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 14.2 mt-10 -34.05 -51.9 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.14 14.11 3.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.03 150.47 49.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.41 ' C ' HG22 ' A' ' 88' ' ' VAL . 16.7 m -138.67 137.98 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.467 ' CG1' ' CE1' ' A' ' 90' ' ' PHE . 33.2 t -142.53 148.64 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.441 ' N ' HG11 ' A' ' 88' ' ' VAL . 11.6 mt -122.22 140.17 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.541 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 24.7 m-85 -130.72 159.42 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.92 156.78 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.4 p -126.55 163.92 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -69.4 -44.73 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.95 147.52 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.416 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 3.4 tm-20 -46.89 -57.03 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -44.75 -47.96 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -50.5 -52.06 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -47.4 -61.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -38.23 -58.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -45.94 -39.53 8.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.468 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 60.1 m95 -75.48 -49.66 18.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.414 HG11 ' CE1' ' A' ' 65' ' ' TYR . 39.6 t -52.87 -51.53 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -53.56 -51.72 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 87.2 mtp -46.28 -33.23 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -60.07 -60.35 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -59.28 -35.28 73.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.27 -47.66 68.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 p -79.84 -42.09 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.39 27.38 39.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 5.4 pt20 -50.5 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -95.34 -41.84 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -85.94 109.94 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 19.0 ttpt -71.19 131.33 87.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 143.2 50.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 87.7 t -127.34 138.6 33.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.455 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.551 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 1.8 t60 -131.5 136.86 48.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -135.45 135.8 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.52 165.99 20.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -74.62 142.39 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.953 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 mt -154.34 159.91 41.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.3 m95 -107.86 119.85 40.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.45 157.12 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.11 123.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.05 12.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -102.21 -40.7 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -95.26 -39.71 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG2' ' CE3' ' A' ' 22' ' ' TRP . 17.4 m -116.28 168.7 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.462 ' CE3' ' CG2' ' A' ' 21' ' ' VAL . 4.6 m-90 41.67 38.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -55.9 -15.4 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 124.99 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -71.83 100.25 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -146.55 155.89 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 47.3 tttt -78.4 102.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -118.12 168.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.55 121.99 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -115.63 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -133.43 129.55 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.21 105.75 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.48 153.62 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 65.1 tt0 -104.7 112.92 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -84.16 -58.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -124.07 -179.25 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 12.7 tp60 -46.53 -50.84 16.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 4.2 m-85 -122.13 39.34 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.41 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 4.1 m -138.65 138.57 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 19.5 m-85 -140.26 172.11 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.34 149.25 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.6 mmm -95.34 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -92.29 128.02 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.701 0.209 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -79.27 -72.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -66.33 111.99 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tt -127.26 122.54 34.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' CE2' ' A' ' 61' ' ' TYR . 17.7 tp -113.09 119.48 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -83.9 129.29 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 4.2 mt -98.01 33.87 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.62 -29.97 66.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -128.85 -32.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 8.4 m-85 -34.53 141.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.4 m -119.03 95.15 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 64' ' ' ASP . 6.0 p -82.8 138.57 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.1 p-10 -163.64 164.08 24.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 24.8 m-85 -66.59 129.5 40.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -141.18 159.5 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.36 157.73 80.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 115.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.761 2.307 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -61.64 134.48 93.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.72 -53.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.24 131.54 50.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -121.16 39.79 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.63 137.11 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.45 163.45 2.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -92.66 -69.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB1' ' NE ' ' A' ' 98' ' ' ARG . . . -60.95 148.46 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 77.8 m-85 -129.19 112.15 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 3.3 p90 -133.47 130.37 38.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 45.0 p30 -127.3 167.89 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . . . -115.96 147.18 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -107.37 127.78 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 9.6 tptm -126.97 156.07 42.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.45 -54.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.59 19.03 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.83 146.41 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 m -138.38 126.23 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.479 HG13 ' CE1' ' A' ' 90' ' ' PHE . 46.7 t -133.65 132.72 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.448 ' HA ' ' CB ' ' A' ' 80' ' ' ASN . 14.9 mt -103.09 154.13 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.542 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 26.5 m-85 -142.55 162.79 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.04 176.26 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -147.05 171.66 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.54 -43.6 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -122.87 154.3 38.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.96 -48.85 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -51.74 -40.65 60.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -54.7 -53.69 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.533 ' HG3' ' CD1' ' A' ' 79' ' ' PHE . 45.6 ttp180 -42.97 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ARG . 33.5 mt -36.94 -57.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -45.93 -47.15 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.551 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 77.0 m95 -66.97 -46.44 74.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.485 HG12 ' CE1' ' A' ' 65' ' ' TYR . 37.8 t -55.64 -45.97 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -60.48 -46.75 88.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.98 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 84.7 mtp -43.11 -35.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.2 t80 -57.03 -58.42 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -63.4 -31.23 72.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.75 87.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 24.3 p -79.97 -40.87 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.85 31.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -56.66 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -95.62 -43.17 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.33 100.68 12.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 13.8 ttmm -62.77 138.18 96.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.09 46.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.55 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 9.3 p -114.94 137.39 22.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.7 m -135.58 146.51 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.55 147.69 4.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.461 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.0 m-85 -56.42 132.98 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.552 HD11 ' CZ2' ' A' ' 101' ' ' TRP . 64.1 mt -149.47 138.26 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 3.8 m95 -83.62 126.22 32.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -147.48 148.14 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 tt -140.88 124.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.07 -177.81 16.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -86.75 -40.18 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -97.93 -35.45 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.455 HG21 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -121.03 161.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.455 ' CE3' HG21 ' A' ' 21' ' ' VAL . 4.6 m-90 47.64 28.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -41.37 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -103.47 139.7 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.487 ' CD2' HD21 ' A' ' 72' ' ' LEU . 70.7 t-105 -83.57 96.73 8.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -145.73 154.45 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 17.4 ttpp -73.87 120.72 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -134.96 145.48 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -60.45 104.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -100.81 140.06 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -141.83 130.68 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -82.72 118.65 23.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -111.41 151.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 58.6 tt0 -105.87 107.28 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.31 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 t -121.5 172.82 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -47.31 -39.5 14.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.15 37.49 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -140.8 133.12 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 20.9 m-85 -135.84 166.17 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.62 150.73 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 72.0 mmm -92.36 106.5 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.3 m -100.27 116.84 33.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.767 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.733 0.222 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.33 -59.04 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -93.68 137.23 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.7 tp -146.04 133.44 20.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 tp -123.63 107.3 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -74.58 125.46 28.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mt -96.68 38.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.84 -21.01 63.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.25 -0.87 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 11.9 m-85 -74.11 136.09 42.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -109.18 95.09 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 p -83.0 142.73 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -171.7 149.88 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.0 m-85 -52.11 136.48 29.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -144.14 163.18 34.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -65.79 157.65 78.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.74 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -58.02 143.02 78.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.29 -52.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD21 ' CD2' ' A' ' 25' ' ' TRP . 20.9 mt -68.62 123.25 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 5.6 tp10 -112.37 -61.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.3 107.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.1 144.9 16.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -90.4 -50.9 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -67.03 141.89 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 53.8 m-85 -127.89 115.41 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.2 p90 -140.15 124.52 17.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -122.87 164.26 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.39 152.58 32.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.84 125.63 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.3 tptm -123.74 155.84 37.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 28.4 mm-40 -34.48 -56.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.77 18.9 3.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.9 148.13 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -138.14 122.76 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.496 HG11 ' CE1' ' A' ' 90' ' ' PHE . 28.4 t -129.7 140.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.8 mt -110.99 157.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.541 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 92.6 m-85 -143.81 153.08 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.87 150.71 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 p -123.58 -175.88 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -86.89 -41.32 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 21.0 t0 -119.8 155.68 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 46.7 tt0 -66.12 -40.21 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -43.34 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -55.02 -50.25 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 46.2 ttp180 -45.88 -46.71 15.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.7 mt -55.06 -50.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.0 mt -51.96 -46.17 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.552 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 68.0 m95 -67.52 -44.27 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.964 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -58.43 -40.48 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.06 -44.73 91.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 84.0 mtp -47.74 -30.84 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.7 OUTLIER -60.79 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -72.84 -36.93 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.429 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -51.83 -43.12 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 61' ' ' TYR . 9.8 p -81.51 -48.32 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.72 25.15 23.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -51.81 177.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.9 m -99.74 -40.16 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.8 99.29 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.55 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 34.9 tttp -63.96 135.57 96.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.91 26.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.582 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 5.0 p -104.53 138.66 19.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -125.53 154.48 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.1 p -151.14 163.29 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.08 167.26 11.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.16 128.81 34.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.886 0.374 . . . . 0.0 110.951 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.5 mt -141.98 160.86 39.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CE3' ' N ' ' A' ' 27' ' ' LYS . 2.3 m95 -99.06 117.92 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -135.88 153.18 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -148.85 127.33 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.98 -157.39 9.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.533 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -101.41 -42.82 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -93.7 -39.97 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG22 ' CE3' ' A' ' 22' ' ' TRP . 19.4 m -113.92 169.02 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.469 ' CE3' HG22 ' A' ' 21' ' ' VAL . 4.1 m-90 37.87 38.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -43.69 -22.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.9 mmt85 -106.11 164.73 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.1 t-105 -105.92 95.53 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -146.32 154.19 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' N ' ' CE3' ' A' ' 15' ' ' TRP . 33.9 tttp -70.08 120.36 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -130.65 154.84 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CE2' HG23 ' A' ' 31' ' ' VAL . 59.1 t80 -69.33 98.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.404 ' CZ ' ' HB1' ' A' ' 16' ' ' ALA . 19.8 m-85 -96.49 138.77 33.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' A' ' 29' ' ' PHE . 76.3 t -139.0 122.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.3 tp -79.46 103.25 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -99.12 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.54 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 61.6 tt0 -98.29 101.59 13.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 t -71.3 -61.64 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -115.6 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -48.96 -40.94 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -125.25 33.12 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -136.82 136.5 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 20.1 m-85 -138.86 163.99 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.13 149.57 30.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.85 103.73 16.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -99.24 124.91 44.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.75 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.736 0.223 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -49.52 -51.74 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -95.3 134.13 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -149.16 115.4 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.5 tp -105.8 110.27 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.09 128.0 34.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.6 mt -93.43 35.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -79.95 43.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.27 -36.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 11.3 m-85 -39.15 144.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 m -115.4 93.91 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -83.59 133.87 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -161.51 155.78 22.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.8 m-85 -61.47 134.69 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -146.37 162.06 39.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.68 152.83 44.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.77 105.11 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 69' ' ' GLN . 1.1 mp0 -46.77 138.05 7.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.679 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 128.24 -62.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' GLY . 27.3 mt -36.03 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.64 113.71 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -177.41 -44.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.95 178.8 18.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -89.03 -61.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.25 144.87 53.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 78.4 m-85 -129.17 118.15 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.4 p90 -136.54 121.88 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -111.59 173.78 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.86 139.28 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.76 126.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 12.6 tptm -124.23 156.04 37.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 83' ' ' LYS . 9.6 mm-40 -32.84 -44.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.22 24.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.23 148.21 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 m -138.73 117.51 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 90' ' ' PHE . 49.9 t -131.5 140.62 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.434 ' N ' HG11 ' A' ' 88' ' ' VAL . 6.3 mt -111.74 153.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 46.4 m-85 -141.73 163.03 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.05 174.89 11.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.3 p -147.39 176.53 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.66 -43.26 56.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.19 156.32 49.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -53.79 -44.74 70.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.22 67.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -54.49 -46.07 73.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -47.42 -61.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.54 -61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -39.28 -40.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -77.83 -51.96 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.1 t -48.46 -49.82 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.37 -50.83 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.14 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 86.0 mtp -46.89 -33.0 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 7.3 t80 -59.48 -57.39 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtt-85 -64.09 -40.7 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB2' ' CG ' ' A' ' 40' ' ' PHE . . . -53.52 -35.13 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -89.07 -41.29 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.49 37.38 31.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -59.97 174.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -87.17 -45.01 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -91.97 117.3 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 19.0 tttp -76.15 134.54 70.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.08 52.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.508 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 5.5 p -125.57 138.63 32.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -140.62 162.05 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.0 p -157.82 143.76 17.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.05 150.2 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -53.29 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD11 ' CE2' ' A' ' 101' ' ' TRP . 93.4 mt -151.23 159.68 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -112.58 119.44 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.571 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -141.87 154.5 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -147.53 120.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.38 -172.44 15.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -86.81 -43.1 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.85 -39.11 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG21 ' CE3' ' A' ' 22' ' ' TRP . 27.2 m -116.67 159.64 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.49 ' CZ2' ' CE2' ' A' ' 30' ' ' PHE . 4.7 m-90 50.18 30.32 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -39.83 -31.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -105.39 147.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CE3' HD23 ' A' ' 72' ' ' LEU . 75.1 t-105 -85.31 99.54 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.24 154.33 46.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 22.4 tttm -81.8 110.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -127.58 165.15 20.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -78.24 107.19 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' CZ2' ' A' ' 22' ' ' TRP . 21.3 m-85 -98.65 140.2 33.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.58 141.98 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.8 tp -96.6 106.37 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.41 139.53 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -96.34 101.71 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 t -71.36 -64.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -116.92 178.52 4.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -52.68 -41.55 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -124.84 37.13 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -142.04 136.37 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.507 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 36.7 m-85 -137.65 168.4 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.89 143.16 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.557 ' HE3' ' CZ3' ' A' ' 101' ' ' TRP . 81.3 mmm -92.27 103.14 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 m -92.44 131.83 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.735 0.223 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -57.21 -47.08 82.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -94.32 121.57 35.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tt -142.61 114.43 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 88' ' ' VAL . 16.7 tp -109.44 114.42 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 11.0 mt-30 -76.75 137.49 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 10.0 mt -105.54 38.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.18 -68.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.73 18.64 29.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 18.2 m-85 -75.65 150.15 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.4 m -122.19 94.49 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' O ' ' OD1' ' A' ' 64' ' ' ASP . 6.5 p -82.76 135.0 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 63' ' ' VAL . 24.6 m-20 -158.95 -177.8 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.42 129.17 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -137.8 154.08 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.65 153.35 83.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -47.41 140.54 7.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.08 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.54 -52.71 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.571 HD23 ' CE3' ' A' ' 25' ' ' TRP . 18.5 mt -65.67 108.48 2.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -109.45 64.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.61 96.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 155.69 16.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -88.54 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -69.07 146.08 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 40.5 m-85 -131.33 124.99 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.9 p90 -143.32 120.14 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -114.44 156.26 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.37 155.38 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.21 129.06 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 21.6 tptm -126.5 156.93 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 44.3 mm-40 -33.91 -52.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.44 18.82 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.17 144.65 50.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -135.54 137.27 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.551 HG12 ' CZ ' ' A' ' 90' ' ' PHE . 61.7 t -144.99 137.9 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 90' ' ' PHE . 13.7 mt -109.87 148.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 48.5 m-85 -137.72 163.38 31.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.17 162.66 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -135.11 167.36 21.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.12 -52.83 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.6 164.56 16.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -46.15 89.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -51.31 -53.15 38.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.14 -52.63 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' TRP . 41.3 ttp180 -44.53 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ARG . 77.1 mt -36.82 -53.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 mt -50.96 -41.14 59.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.557 ' CZ3' ' HE3' ' A' ' 42' ' ' MET . 67.5 m95 -73.64 -47.14 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 55.1 t -57.75 -37.84 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -67.42 -44.79 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.41 -62.15 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 67.1 mtp -51.6 -31.26 24.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.4 t80 -59.48 -53.62 56.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -67.73 -36.76 81.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.507 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.24 -44.39 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 61.5 p -81.05 -45.42 16.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.6 32.32 13.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -54.48 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -104.46 -39.19 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -86.46 101.58 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 39.0 tttm -62.98 125.75 87.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.38 47.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 117' ' ' PRO . 85.0 t -135.83 136.96 24.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.411 ' N ' HG11 ' A' ' 116' ' ' VAL . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 100' ' ' LEU . 22.1 m-70 -135.42 140.27 44.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -143.24 141.82 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.68 159.32 9.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.81 129.24 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 101' ' ' TRP . 96.7 mt -143.76 159.28 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.2 m95 -108.53 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' HB1' ' CE2' ' A' ' 90' ' ' PHE . . . -134.81 158.4 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 tt -154.22 124.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.44 -164.51 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -92.91 -43.67 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -98.35 -33.81 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.26 159.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 43.68 35.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -43.14 -27.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -105.27 149.35 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.2 t-105 -89.57 100.09 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -142.29 156.2 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 14.6 tttt -83.95 112.59 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -130.35 160.05 35.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -69.57 116.18 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -108.93 141.49 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.6 t -140.75 139.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.3 tp -93.17 105.38 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 t -98.99 140.96 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.478 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 37.3 tt0 -96.7 103.73 15.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.37 -62.2 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -113.99 170.88 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -46.82 -39.95 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.64 35.63 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -139.15 136.15 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 11.6 m-85 -135.8 166.77 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.34 149.77 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.526 ' HE2' ' CZ3' ' A' ' 101' ' ' TRP . 31.5 mmm -92.47 108.15 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 m -100.02 115.16 29.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.706 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.76 0.233 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' PRO . 13.0 mt-30 -36.92 -31.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 mp0 -137.02 154.86 50.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 tp -154.84 129.88 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -126.58 108.93 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -78.35 121.66 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.1 mt -87.03 35.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -44.96 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -129.38 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 17.6 m-85 -34.97 139.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 3.5 m -114.0 100.14 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.1 p -82.86 146.89 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.49 167.64 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.542 ' CE1' HG12 ' A' ' 102' ' ' VAL . 11.3 m-85 -76.2 136.51 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -144.93 170.18 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.9 153.32 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.549 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.74 115.57 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -66.49 141.1 96.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 108.83 2.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.47 -62.7 0.61 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -50.78 114.21 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.314 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 8.6 pt-20 -122.4 90.73 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -144.05 -56.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -174.47 13.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.514 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 30.8 ttm-85 -87.7 -67.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.82 146.24 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 74.6 m-85 -131.42 109.27 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -123.61 125.43 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -120.81 155.65 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.16 153.7 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.6 t -118.07 124.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 15.5 tptp -120.59 154.57 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.4 mm-40 -31.83 -44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.25 19.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.427 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -127.29 146.61 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.5 m -138.77 129.45 26.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 90' ' ' PHE . 95.7 t -138.24 141.99 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.408 ' N ' HG11 ' A' ' 88' ' ' VAL . 10.4 mt -111.86 150.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 89.9 m-85 -138.55 161.94 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.73 150.19 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.2 p -123.47 171.58 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -72.04 -49.47 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.58 152.69 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.99 -26.68 66.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -65.79 -45.02 83.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.03 -51.14 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -39.23 -49.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.6 mt -59.3 -46.86 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 13.5 mt -53.91 -30.74 47.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.526 ' CZ3' ' HE2' ' A' ' 42' ' ' MET . 78.1 m95 -85.04 -46.39 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.542 HG12 ' CE1' ' A' ' 65' ' ' TYR . 97.3 t -57.65 -45.73 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -60.32 -46.96 88.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 80.1 mtp -47.93 -33.22 7.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 3.2 t80 -56.41 -47.03 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -75.91 -34.01 59.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.434 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -59.73 -36.52 76.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.3 p -88.33 -38.99 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.38 34.57 44.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.474 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 23.9 pt20 -56.04 177.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -101.06 -21.64 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 70.5 t60 -104.06 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.464 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -70.62 124.3 90.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.24 37.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 8.2 p -121.7 137.36 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -160.17 148.94 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 p -147.36 175.2 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.64 146.06 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -51.52 131.1 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 92' ' ' SER . 90.4 mt -143.99 160.25 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.1 m95 -107.93 118.91 37.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.559 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.42 156.79 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.7 tt -148.93 133.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.64 -169.74 12.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -93.88 -39.51 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.96 -24.05 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' CE3' ' A' ' 22' ' ' TRP . 24.0 m -127.85 165.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.497 ' CE3' HG22 ' A' ' 21' ' ' VAL . 4.5 m-90 37.11 29.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' VAL . 69.0 mttt -41.87 -28.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -99.69 136.26 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 75.8 t-105 -77.09 98.79 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -141.26 156.55 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 5.6 ttpp -88.5 112.06 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -130.76 160.12 35.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.05 125.31 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 15.5 m-85 -116.57 137.35 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.26 122.5 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.57 105.55 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.3 t -93.39 137.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 38.1 tt0 -88.43 95.36 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 t -67.02 -66.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -113.76 -176.94 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -53.62 -47.17 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.89 27.5 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -128.9 138.58 52.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 43.6 m-85 -137.65 168.63 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.12 146.68 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.0 mmt -93.74 104.81 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 119.29 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.785 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.746 0.228 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.62 -48.19 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 25.8 mp0 -105.4 132.01 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tt -142.09 114.34 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.85 116.82 32.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.06 128.78 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 mt -98.24 37.57 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.6 -21.83 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.4 14.96 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 13.0 m-85 -80.72 142.72 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.441 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.8 m -112.34 95.26 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 p -84.34 128.9 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.21 165.54 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 24.5 m-85 -67.89 141.32 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 170.75 16.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.05 158.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.74 109.12 2.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.54 139.01 97.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 93.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.4 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 152.45 -46.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 HD23 ' CE3' ' A' ' 25' ' ' TRP . 56.3 mt -70.1 108.78 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -124.35 64.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.12 -43.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.42 -172.84 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -95.49 -69.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.95 145.06 26.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 34.1 m-85 -130.41 121.5 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 6.2 p90 -147.46 126.59 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -126.0 154.69 42.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.14 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.0 t -106.7 127.02 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 12.8 tptm -118.45 156.91 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.9 mt-10 -33.59 -49.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.61 11.39 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.51 149.12 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 m -138.71 139.26 38.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 90' ' ' PHE . 70.3 t -144.74 138.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 mt -107.28 152.71 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 66.0 m-85 -142.64 156.24 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.03 31.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.414 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 6.1 t -119.52 -179.97 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 97' ' ' ASP . 0.7 OUTLIER -142.42 162.45 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -64.12 -38.64 91.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -55.74 -41.16 73.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 73.2 m-20 -63.97 -52.45 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.52 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.19 -36.54 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -71.83 -43.22 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.96 -45.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.82 -47.1 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.48 -57.55 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.3 mmm -51.65 -38.84 56.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 10.8 t80 -55.62 -57.62 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -62.28 -39.15 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.59 -40.85 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 46.0 p -79.75 -46.74 16.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.5 34.65 9.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.405 ' HG2' ' CD1' ' A' ' 106' ' ' TYR . 4.1 pt20 -67.22 170.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -101.28 -27.54 13.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -86.06 69.86 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 16.6 tttm -40.86 123.4 1.94 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.408 ' CD ' ' CD1' ' A' ' 106' ' ' TYR . 53.6 Cg_endo -69.74 142.55 48.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 117' ' ' PRO . 99.6 t -115.06 138.91 23.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.05 157.02 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -157.5 158.11 35.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 159.41 8.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.65 135.01 54.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.957 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' CE2' ' A' ' 101' ' ' TRP . 34.1 mt -152.75 141.77 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.631 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 7.5 m95 -86.5 118.01 25.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -139.98 149.13 42.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.51 124.23 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.53 177.42 16.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -45.17 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -90.47 -39.91 12.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG2' ' CE3' ' A' ' 22' ' ' TRP . 25.2 m -118.68 155.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.438 ' CE3' ' CG2' ' A' ' 21' ' ' VAL . 4.4 m-90 51.25 38.08 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -47.47 -26.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -101.62 149.88 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.631 ' CZ2' ' CB ' ' A' ' 15' ' ' TRP . 72.8 t-105 -87.3 95.4 9.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 34.6 tptt -140.61 152.63 45.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 16.2 ttmt -89.1 117.74 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.552 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.95 169.56 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.5 126.57 29.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 18.1 m-85 -124.44 125.31 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 32' ' ' LEU . 92.6 t -125.33 135.36 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.201 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 31' ' ' VAL . 57.4 tp -85.72 106.94 17.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.87 137.17 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 41.9 tt0 -95.47 96.18 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.89 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 p -135.16 -175.11 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -46.27 -59.58 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.06 41.31 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.426 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.4 m -142.25 137.32 30.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 23.0 m-85 -142.72 168.19 20.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . . . -151.8 143.62 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.459 ' HE3' ' CZ3' ' A' ' 101' ' ' TRP . 78.8 mmm -92.39 104.17 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.8 m -94.22 128.77 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.733 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.699 0.208 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' C ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -47.22 -61.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 33.6 mp0 -100.07 130.76 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 22.9 tp -131.26 140.45 49.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 23.1 tp -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.74 136.71 53.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.5 mt -98.56 30.51 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.34 80.47 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.96 -34.45 3.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.546 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.8 m-85 -45.42 140.03 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -111.62 95.79 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 7.5 p -84.08 138.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.2 m-20 -164.2 167.73 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -69.08 135.49 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -145.13 154.44 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.28 161.58 48.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.8 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -53.37 139.5 47.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.19 -54.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.565 HD21 ' CE3' ' A' ' 25' ' ' TRP . 13.8 mt -68.63 143.27 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -128.54 -54.8 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.56 134.99 3.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -85.67 -53.97 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -78.54 144.56 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.1 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.0 p90 -149.39 127.15 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.413 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 56.1 p30 -125.22 168.31 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.82 149.33 40.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.1 t -109.61 128.27 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 12.7 tptm -128.59 156.36 43.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.6 mt-10 -33.66 -58.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.7 21.18 3.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.02 146.45 50.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.4 m -138.59 129.64 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 90' ' ' PHE . 44.4 t -140.19 131.74 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 80' ' ' ASN . 13.0 mt -103.35 156.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.554 ' CZ ' HG11 ' A' ' 88' ' ' VAL . 91.3 m-85 -142.45 154.64 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.93 146.63 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.4 p -118.57 172.77 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.51 -49.25 50.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -119.49 148.05 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -50.49 -44.66 55.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -50.11 -56.45 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.05 -53.15 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 50.4 ttp180 -43.87 -64.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ARG . 50.7 mt -36.79 -62.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.1 mt -44.94 -45.93 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.503 ' CE2' HD12 ' A' ' 14' ' ' LEU . 71.5 m95 -65.16 -50.17 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.26 -40.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.33 -44.14 95.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.31 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 81.6 mtp -47.68 -37.56 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -51.72 -48.36 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -75.89 -40.94 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.49 -38.16 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 60.1 p -75.85 -51.05 13.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.65 31.22 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.59 -176.35 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -128.45 12.74 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 114' ' ' LYS . 60.2 m-70 -106.26 60.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 113' ' ' HIS . 6.5 mtpm? -33.89 97.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 113' ' ' HIS . 53.9 Cg_endo -69.77 143.72 51.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.3 p -128.21 133.0 24.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.176 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 3.2 m-70 -111.65 166.89 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.3 p -174.96 127.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.61 157.05 9.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -61.58 133.04 55.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.985 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -151.07 162.25 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -109.22 116.77 32.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -134.38 155.24 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.3 129.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.47 -171.73 13.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.61 -41.67 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -97.69 -38.69 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 54' ' ' GLU . 16.6 m -113.98 158.48 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.475 ' CZ2' ' CE2' ' A' ' 30' ' ' PHE . 4.2 m-90 46.77 33.27 2.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -39.26 -29.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -104.24 163.37 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 66.4 t-105 -103.94 101.97 11.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -146.73 157.36 43.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.8 ttpp -76.19 113.66 13.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 28' ' ' ARG . 15.5 ttm105 -131.47 167.56 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -82.53 116.08 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CE2' ' CZ2' ' A' ' 22' ' ' TRP . 40.4 m-85 -112.49 136.06 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.26 129.81 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -84.36 103.08 13.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -95.64 136.28 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.0 tt0 -89.75 101.03 13.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.92 -62.08 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -118.09 175.34 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -50.18 -41.28 49.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.9 33.38 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 m -139.19 133.05 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 15.3 m-85 -134.06 169.95 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.98 144.09 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.517 ' HE1' ' CZ3' ' A' ' 101' ' ' TRP . 82.0 mmm -91.96 101.06 13.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.7 m -90.95 139.32 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.722 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.698 0.207 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -40.37 -49.72 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.468 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 12.5 mp0 -123.9 132.07 53.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 tt -134.44 113.27 11.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.84 120.65 42.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -81.43 126.21 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 9.1 mt -97.84 40.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.72 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.38 4.51 62.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-85 -60.65 146.33 45.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.0 m -124.62 96.97 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -83.82 141.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -168.4 148.48 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 12.7 m-85 -49.85 139.24 13.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 t -145.46 160.66 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.5 156.64 91.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.77 98.44 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.46 138.41 49.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 93.35 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.69 -54.81 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 25' ' ' TRP . 17.4 mt -61.39 129.18 39.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.23 68.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.427 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -169.73 91.32 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.7 155.98 9.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -93.32 -51.48 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -73.74 147.16 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 68' ' ' PRO . 30.4 m-85 -131.45 127.98 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 7.3 p90 -153.89 126.65 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -123.1 160.69 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.21 155.48 21.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.6 t -118.09 125.82 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 21.1 tptm -125.68 156.83 38.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.8 mt-10 -33.67 -60.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.58 20.14 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.93 146.69 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 m -138.88 132.97 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' A' ' 90' ' ' PHE . 63.2 t -141.24 139.48 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 90' ' ' PHE . 9.4 mt -110.73 147.24 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 23.3 m-85 -134.81 163.76 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.07 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -140.56 162.97 34.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -81.02 -39.2 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.12 136.44 53.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.05 -32.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -49.13 77.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 44.5 ttp180 -43.96 -58.51 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mt -46.39 -59.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.84 -48.07 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 65.4 m95 -63.26 -47.25 83.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.423 HG13 ' CE1' ' A' ' 65' ' ' TYR . 50.4 t -57.31 -35.07 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.32 -43.08 71.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 -60.46 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 80.6 mtp -50.32 -34.44 23.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.13 -56.59 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.6 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -56.86 -44.19 81.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 71.1 p -80.63 -44.74 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.4 24.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -50.61 -178.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -94.66 -38.92 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -83.95 -178.16 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -135.27 122.86 15.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.84 33.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 6.6 p -119.5 138.36 26.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CD2' ' H ' ' A' ' 11' ' ' SER . 3.0 t60 -126.05 169.19 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.471 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 59.7 p -160.91 154.9 22.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.37 156.75 7.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.24 137.11 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.962 0.41 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.9 mt -152.6 160.18 43.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.554 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -108.34 117.67 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.552 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -140.66 156.48 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.068 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.2 tt -148.72 128.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.12 -164.41 12.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -96.91 -44.69 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.01 -35.79 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 m -119.76 162.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.493 ' CD1' ' OE1' ' A' ' 54' ' ' GLU . 4.8 m-90 44.59 31.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -42.3 -24.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' TRP . 55.7 mtm-85 -104.86 143.99 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.554 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.8 t-105 -84.16 84.71 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -128.34 157.28 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 21.2 ttpp -87.85 117.85 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -134.52 160.94 36.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.32 104.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -99.74 135.38 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 32' ' ' LEU . 93.6 t -138.28 143.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' HG11 ' A' ' 31' ' ' VAL . 50.1 tp -98.36 114.89 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.65 141.37 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 18.5 tt0 -96.13 106.88 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 -57.11 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -120.44 166.35 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -40.95 -46.32 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m-85 -122.63 39.51 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -142.75 132.29 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 14.7 m-85 -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.79 148.96 29.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.4 mmm -95.01 104.42 16.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.6 m -93.84 123.03 36.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.77 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.097 0 CA-C-O 120.76 0.233 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.42 -48.39 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' OE1' ' CD1' ' A' ' 22' ' ' TRP . 14.9 mt-10 -110.42 149.47 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 56' ' ' LEU . 8.0 tp -153.04 135.99 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 55' ' ' LEU . 17.0 tp -129.5 110.28 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.47 117.25 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.3 mt -92.16 37.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -65.24 -28.85 69.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.56 -22.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.6 m-85 -45.61 142.06 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.46 HG22 ' CB ' ' A' ' 111' ' ' GLN . 25.9 m -120.86 96.51 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 p -82.82 149.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -173.38 176.42 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 45.7 m-85 -79.84 136.35 36.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -149.37 153.79 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 156.63 9.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.3 Cg_endo -69.68 111.07 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.79 122.29 70.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 73' ' ' GLU . . . 168.8 -47.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 44.2 mt -66.24 140.66 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 14.9 mp0 -126.0 97.34 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.4 102.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.73 158.09 23.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -96.88 -62.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.87 147.2 43.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 52.1 m-85 -131.38 117.96 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -141.53 121.27 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -118.16 165.06 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.14 149.69 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.39 128.87 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.1 tptm -124.76 155.38 39.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.6 mm-40 -34.46 -52.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.65 17.44 3.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.35 149.37 49.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.403 ' C ' HG22 ' A' ' 88' ' ' VAL . 29.3 m -138.56 134.41 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 87' ' ' THR . 95.5 t -144.02 139.73 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.83 153.37 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 25.6 m-85 -138.46 159.59 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.45 151.47 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.9 p -121.17 174.73 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.77 -23.81 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -151.98 162.87 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.58 -14.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -87.25 -49.16 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.451 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 7.2 ptt180 -54.63 -25.84 29.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.46 -51.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.79 -43.62 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -72.63 -36.35 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 98' ' ' ARG . 45.6 t -68.99 -32.92 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.19 -40.27 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.32 -49.75 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 96.9 mtp -59.26 -29.69 67.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -62.98 -56.86 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -64.19 -35.55 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.17 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.4 p -76.04 -47.34 25.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.55 33.61 8.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.46 ' CB ' HG22 ' A' ' 62' ' ' THR . 4.6 pt20 -60.58 166.23 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.2 t -84.21 -41.44 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -91.39 112.87 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 20.1 ttmt -74.4 134.81 76.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 148.3 65.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.6 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 87.9 t -134.01 138.7 31.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 111.174 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -141.16 160.19 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -156.23 141.89 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.13 152.76 6.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.67 132.45 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 101' ' ' TRP . 41.9 mt -145.72 166.9 24.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.536 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -109.69 116.42 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -134.39 151.39 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -145.52 119.03 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.88 12.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -100.59 -44.77 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.34 -26.47 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.3 m -127.26 162.46 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 56' ' ' LEU . 4.9 m-90 44.2 27.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -41.0 -27.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -101.75 135.53 43.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.536 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 70.0 t-105 -79.04 100.79 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 28.8 tttm -146.21 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 43.4 tttm -78.46 106.46 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -124.07 162.34 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 22.2 t80 -70.28 120.0 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 m-85 -114.93 132.79 56.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 88.9 t -140.03 123.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -80.98 123.03 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.18 155.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 40' ' ' PHE . 60.1 tt0 -102.23 98.69 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 t -67.88 -64.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -118.49 170.04 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -42.68 -42.5 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -126.85 36.87 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.09 132.15 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 34' ' ' GLN . 13.7 m-85 -132.72 161.92 32.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -147.67 149.64 32.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmm -93.13 101.15 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.8 m -91.19 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.72 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.75 0.229 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -73.22 -70.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' CD ' ' CD1' ' A' ' 22' ' ' TRP . 9.4 mt-10 -67.96 101.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' A' ' 41' ' ' ALA . 3.7 tt -116.96 129.64 56.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 18.1 tp -120.41 110.98 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.48 115.53 20.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 22.4 mt -82.73 37.48 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -49.27 -48.47 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.51 16.14 3.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 7.4 m-85 -71.21 104.64 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.979 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -78.34 95.75 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 p -85.07 134.52 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.06 164.68 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -62.91 142.13 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -151.6 150.79 30.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.37 152.51 8.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.0 Cg_endo -69.73 103.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -49.1 139.28 12.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.44 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.45 -59.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.6 mt -54.34 116.19 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.31 38.46 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . -122.43 74.91 0.37 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.82 166.28 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -96.35 -51.63 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB2' ' NE ' ' A' ' 98' ' ' ARG . . . -74.57 143.86 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 87.4 m-85 -130.99 116.6 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.7 p90 -136.82 122.88 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 57.2 p30 -118.72 164.3 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.64 146.09 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -106.21 129.65 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 14.7 tptp -128.09 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 53.1 mm-40 -34.37 -53.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.63 19.23 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.96 148.46 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 m -138.74 128.9 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.501 HG13 ' CZ ' ' A' ' 90' ' ' PHE . 95.3 t -134.72 138.05 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 90' ' ' PHE . 16.7 mt -114.07 143.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.566 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 53.0 m-85 -129.16 164.29 23.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.52 162.13 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -136.75 165.89 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.28 -41.67 18.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.86 129.39 54.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -45.24 -42.05 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.54 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -52.47 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.464 ' NE ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 ttp180 -41.51 -66.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ARG . 53.1 mt -37.46 -53.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.49 -41.92 63.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 83.2 m95 -70.14 -42.6 72.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.434 ' CG1' ' CB ' ' A' ' 115' ' ' PRO . 58.8 t -64.88 -35.83 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -69.47 -43.13 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.41 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 93.2 mtp -48.98 -33.69 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.8 t80 -57.95 -48.5 79.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -70.56 -38.83 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.512 ' HB2' ' CG ' ' A' ' 40' ' ' PHE . . . -54.98 -40.28 69.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 61' ' ' TYR . 63.9 p -84.74 -45.68 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.08 10.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.59 178.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -100.12 -34.43 10.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -94.9 90.6 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 35.4 tttt -53.58 139.36 49.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 114' ' ' LYS . 53.9 Cg_endo -69.75 134.74 28.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.33 125.22 28.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -145.78 150.12 35.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -148.6 168.36 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.54 159.26 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.48 137.71 56.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.4 mt -147.07 163.71 35.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 1.7 m95 -108.69 116.84 32.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -142.51 155.45 45.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 tt -151.08 132.37 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.28 -160.28 10.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -104.66 -33.57 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -97.83 -37.73 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.501 HG21 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -127.51 162.51 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.501 ' CE3' HG21 ' A' ' 21' ' ' VAL . 4.6 m-90 50.37 33.14 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -46.74 -28.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -95.48 134.0 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -81.93 88.62 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -141.05 155.55 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 18.1 ttpp -75.06 122.82 24.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -134.75 156.63 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.54 109.52 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -104.53 142.85 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -143.21 123.27 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -82.24 103.73 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.07 156.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 58.7 tt0 -103.63 113.29 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -86.09 -62.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 m -117.7 175.96 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -44.88 -49.74 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -122.29 36.46 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 m -137.66 142.43 41.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 108' ' ' ALA . 31.6 m-85 -141.61 173.84 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.78 146.81 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.487 ' HE2' ' CZ3' ' A' ' 101' ' ' TRP . 20.3 mmm -93.28 101.11 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.0 m -92.13 120.46 32.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -179.7 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.736 0.224 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.73 -68.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -72.16 120.18 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tt -133.61 129.58 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD12 ' CE2' ' A' ' 61' ' ' TYR . 18.5 tp -120.06 110.32 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.49 121.46 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 mt -91.28 34.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.29 -22.72 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.94 -26.19 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 14.6 m-85 -48.16 147.27 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.49 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 90.7 m -124.07 100.0 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.86 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -72.14 130.47 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 80' ' ' ASN . 9.9 t -138.28 175.06 9.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.5 154.08 78.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.2 Cg_endo -69.7 107.77 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -56.34 137.19 75.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 99.21 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.68 -60.73 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -60.01 133.68 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 38.3 mt-10 -118.67 -64.32 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.59 101.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.4 131.4 4.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -80.02 -49.71 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -78.04 148.15 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 68.8 m-85 -128.18 116.29 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.495 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -143.91 128.45 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 66' ' ' THR . 29.3 p30 -126.13 163.13 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.9 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -107.29 123.4 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 18.1 tptt -120.2 154.33 35.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' LYS . 15.1 mt-10 -34.51 -53.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.97 16.51 3.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -125.84 150.6 47.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.0 m -138.61 134.34 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.4 t -141.68 128.42 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.9 mt -99.36 149.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.495 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 66.9 m-85 -138.46 156.49 47.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.21 165.61 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.5 p -137.57 164.08 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.12 -31.42 61.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -130.13 160.54 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.44 -46.82 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.99 -31.28 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -47.48 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 46.3 ttp180 -49.65 -59.49 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.5 mt -48.17 -40.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.0 -44.49 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.487 ' CZ3' ' HE2' ' A' ' 42' ' ' MET . 64.2 m95 -68.82 -34.08 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.57 -35.05 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -74.6 -35.54 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.51 -52.28 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.2 mtp -58.95 -34.41 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.8 t80 -57.73 -55.81 30.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -61.64 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.566 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . . . -67.36 -40.4 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.0 p -84.13 -35.72 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.49 74.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.49 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 4.1 pt20 -48.07 165.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.0 t -83.43 -41.07 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -78.51 120.52 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 31.7 tttt -90.07 121.84 68.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.74 33.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 4.6 p -126.0 138.78 32.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -132.32 153.4 50.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 p -150.46 165.7 32.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 167.25 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -80.68 137.01 36.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 92' ' ' SER . 87.2 mt -151.96 164.52 36.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CZ2' ' HE3' ' A' ' 27' ' ' LYS . 1.5 m95 -109.14 118.03 35.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.75 148.0 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.089 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tt -143.3 119.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -166.64 14.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -94.67 -47.61 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -89.92 -36.16 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.502 HG21 ' CE3' ' A' ' 22' ' ' TRP . 18.1 m -118.44 163.01 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.502 ' CE3' HG21 ' A' ' 21' ' ' VAL . 5.1 m0 45.2 38.64 3.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.97 -20.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.96 146.7 34.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 69.8 t-105 -85.51 94.19 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -138.39 155.05 48.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 5.3 ttmt -90.6 118.62 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.412 ' HD2' ' CD1' ' A' ' 22' ' ' TRP . 12.5 ptp180 -132.76 172.56 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -74.75 104.82 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -98.5 130.09 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -129.67 128.9 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.52 113.79 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.44 147.19 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 51.3 tt0 -103.18 106.27 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.73 -49.73 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -128.8 176.42 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 16.8 mt-30 -53.25 -35.87 60.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -130.24 30.32 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -133.77 134.47 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 16.6 m-85 -137.61 164.79 27.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.84 142.76 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.3 mmm -92.53 101.25 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.3 m -89.9 122.72 33.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.678 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.789 0.245 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.24 -50.36 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 145.91 29.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tt -155.89 129.71 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 tp -114.67 135.47 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -99.3 119.13 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -90.02 35.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -61.71 -28.57 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.1 -27.78 0.56 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.6 m-85 -38.24 142.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.402 ' HB ' ' CG1' ' A' ' 82' ' ' VAL . 91.2 m -121.13 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.1 p -83.12 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -174.0 150.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 19.1 m-85 -53.87 133.66 42.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 161.6 38.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.92 160.79 72.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.67 126.71 13.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -82.86 140.85 43.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -53.0 0.81 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.45 HD12 ' CZ3' ' A' ' 25' ' ' TRP . 9.6 mt -74.4 128.75 36.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 74' ' ' GLY . 1.7 tm-20 -115.43 -60.55 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.46 114.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.544 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.62 143.18 14.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.67 -63.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -58.22 148.2 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 36.5 m-85 -130.26 114.53 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.502 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 2.2 p90 -142.35 131.98 23.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.42 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 42.1 p30 -134.57 161.01 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 152.03 28.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.402 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 7.7 p -114.56 127.19 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.512 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 11.0 tptm -123.54 156.14 36.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 45.2 mm-40 -34.21 -56.77 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.04 14.06 4.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.77 144.13 50.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 53.1 m -138.01 132.29 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.5 t -138.88 139.79 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 90' ' ' PHE . 44.2 mt -108.6 157.02 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 91.6 m-85 -144.94 154.79 42.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.16 154.01 39.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.2 t -123.4 178.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.6 -40.32 25.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 156.16 28.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.47 -55.26 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 4.5 tm0? -56.29 -31.61 63.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.45 -10.38 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 42.8 ttp180 -78.97 -43.46 24.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 96' ' ' GLN . 5.1 mp -57.17 -37.94 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -62.43 -49.08 76.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -70.18 -34.5 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.5 -54.5 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.9 mmm -54.4 -37.24 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.4 t80 -56.05 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -62.11 -33.09 73.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -56.49 -39.72 73.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.2 p -84.54 -45.06 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.21 17.42 46.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -47.14 172.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.8 p -97.53 -35.27 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -85.89 103.13 14.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.507 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -70.4 121.43 83.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 153.95 68.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 85.1 t -129.92 138.72 33.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.076 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -128.42 156.35 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -147.43 153.44 39.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.29 149.43 5.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -60.99 140.23 57.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' CZ2' ' A' ' 101' ' ' TRP . 28.8 mt -153.15 155.76 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 5.1 m95 -98.74 116.78 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.22 154.72 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -153.82 121.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -176.51 18.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -88.03 -34.38 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -99.53 -38.58 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.431 HG22 ' CE3' ' A' ' 22' ' ' TRP . 17.9 m -122.83 160.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CE3' HG22 ' A' ' 21' ' ' VAL . 5.0 m-90 52.35 28.68 5.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -39.54 -30.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -94.14 159.02 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ2' ' CB ' ' A' ' 15' ' ' TRP . 70.2 t-105 -106.69 99.41 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -146.03 155.26 42.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 7.4 ttpm? -76.14 97.33 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -113.43 149.38 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.68 119.68 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.0 m-85 -115.35 138.64 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.79 123.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -80.39 119.7 23.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.99 150.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.6 tt0 -103.66 111.91 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 t -85.11 -52.46 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -128.23 173.56 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -49.13 -39.35 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE1' ' OE1' ' A' ' 37' ' ' GLN . 2.9 m-85 -126.42 30.8 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.1 m -133.76 142.04 47.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 108' ' ' ALA . 21.8 m-85 -146.29 162.1 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.15 146.82 32.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -92.61 101.81 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.3 m -103.58 121.96 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.756 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.179 0 CA-C-O 120.722 0.218 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -67.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.06 143.87 31.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 tt -141.42 119.91 12.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -114.87 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -86.22 122.23 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.37 37.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -70.76 -21.31 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.03 1.87 3.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 12.3 m-85 -75.68 148.04 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 111' ' ' GLN . 29.6 m -124.2 97.96 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.06 143.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.82 143.38 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.471 ' CE1' HG11 ' A' ' 102' ' ' VAL . 26.3 m-85 -47.89 134.52 13.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -145.33 156.94 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 5.0 p-10 -56.37 156.46 11.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.72 102.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -40.03 136.71 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.641 2.228 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.18 -58.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 25' ' ' TRP . 72.4 mt -51.25 101.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.36 46.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.53 -58.23 0.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.06 -170.7 14.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.584 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 7.8 mmm180 -93.52 -71.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.19 141.45 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 76' ' ' ARG . 97.2 m-85 -131.41 116.3 17.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -127.65 122.66 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -115.06 153.26 31.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.44 152.4 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.0 123.76 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.7 tptm -115.8 156.37 26.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 6.0 mm-40 -34.3 -45.65 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.29 13.44 1.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 153.33 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.411 ' C ' HG22 ' A' ' 88' ' ' VAL . 10.5 m -136.69 136.69 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 90' ' ' PHE . 61.2 t -142.0 140.64 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.2 mt -112.6 150.15 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 66.9 m-85 -139.67 162.76 34.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.83 174.86 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 p -147.7 170.24 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -29.81 53.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 1.2 p-10 -142.05 142.82 32.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -47.56 -42.09 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -50.22 -49.15 53.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -51.84 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -40.89 -42.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.8 mt -57.93 -44.37 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.1 mt -66.05 -34.67 78.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.424 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 87.9 m95 -75.14 -37.42 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.471 HG11 ' CE1' ' A' ' 65' ' ' TYR . 85.6 t -70.08 -39.25 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.48 -41.19 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.64 -55.8 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 94.7 mtp -54.79 -28.16 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -63.84 -58.87 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -59.8 -34.37 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.559 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . . . -56.45 -45.98 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.1 p -79.65 -43.8 22.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.97 35.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.411 ' CD ' HG21 ' A' ' 62' ' ' THR . 3.5 pt20 -48.28 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -93.04 -40.79 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -91.97 99.91 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 64.2 tttt -61.44 137.23 94.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 155.84 64.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.2 t -139.53 133.64 15.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 2.8 mptt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -137.2 162.81 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 p -162.8 169.11 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.97 149.76 5.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -60.51 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.945 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 101' ' ' TRP . 36.2 mt -138.85 153.51 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.2 m95 -99.0 117.6 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.14 151.98 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.9 tt -151.35 123.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.02 -168.96 13.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -92.43 -35.37 13.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.3 -38.59 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 m -118.8 162.99 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ARG . 4.8 m-90 46.83 30.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -39.57 -27.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.0 tpm_? -101.05 151.68 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.478 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.9 t-105 -94.66 89.94 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 5.5 tppt? -134.09 155.07 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 19.4 tttt -81.86 103.18 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -113.67 164.5 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -80.05 97.94 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' ' CZ2' ' A' ' 22' ' ' TRP . 26.2 m-85 -91.69 135.59 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.9 t -134.04 130.37 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.8 tp -79.42 120.06 23.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.0 t -116.22 146.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 48.7 tt0 -98.91 102.29 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -70.58 -58.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 -175.77 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -55.74 -38.07 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.71 35.36 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.5 m -139.28 142.64 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 28.0 m-85 -142.94 165.64 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -151.86 144.98 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 75.1 mmm -92.64 101.12 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.3 m -92.88 130.45 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.76 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.733 0.222 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -74.95 -75.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -76.5 128.52 34.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 4.7 tt -140.5 115.43 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 13.3 tp -107.71 120.8 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -87.91 121.61 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 18.3 mt -86.54 34.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.57 -58.53 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -115.85 -22.26 4.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.542 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 28.0 m-85 -34.97 143.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.455 ' HB ' ' CG1' ' A' ' 82' ' ' VAL . 13.1 m -124.75 100.03 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.6 p -82.91 137.98 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -164.96 151.84 10.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -53.86 135.8 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 t -145.04 171.2 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.46 159.32 77.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.562 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 121.23 7.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -66.62 142.16 97.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.95 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.92 -58.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.69 118.71 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.53 40.38 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.06 100.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.5 163.76 24.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -96.71 -49.64 5.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.11 143.06 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 47.4 m-85 -127.15 109.87 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -130.57 122.36 27.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -123.55 157.3 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.14 152.06 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.455 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 6.0 p -114.77 127.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.3 tptm -117.99 157.01 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' LYS . 63.5 mm-40 -33.43 -52.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.05 15.6 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.78 150.32 49.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -138.69 128.7 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.3 t -134.14 139.31 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 90' ' ' PHE . 11.2 mt -110.03 150.39 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.452 ' N ' HG21 ' A' ' 89' ' ' ILE . 53.9 m-85 -139.78 157.27 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.433 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -147.19 160.18 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.7 p -133.37 161.09 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.43 -34.21 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -117.92 147.87 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -60.92 -52.7 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -47.33 -45.81 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.42 -54.45 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -42.04 -58.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.3 mt -49.5 -52.64 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.5 mt -51.52 -49.69 61.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.505 ' CE2' HD11 ' A' ' 14' ' ' LEU . 77.6 m95 -65.26 -36.51 84.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.76 -34.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -72.2 -40.76 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.11 -53.76 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 94.5 mtp -56.73 -32.82 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.6 t80 -59.54 -60.91 3.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -60.78 -32.8 72.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.68 83.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 16.0 p -78.95 -43.56 24.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.09 31.68 22.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -54.77 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -101.66 -38.0 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -92.78 109.38 20.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.8 tttt -70.35 131.52 88.39 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.05 46.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.388 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.3 t -129.45 133.41 25.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 101' ' ' TRP . 23.7 m-70 -139.92 131.89 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -138.9 144.86 39.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.78 165.3 14.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.426 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.56 136.25 56.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -153.14 144.42 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 27' ' ' LYS . 7.1 m95 -91.67 116.36 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.51 154.67 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 tt -150.14 129.73 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.53 -177.85 15.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -87.15 -44.09 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -94.28 -32.08 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.561 HG22 ' CE3' ' A' ' 22' ' ' TRP . 12.0 m -127.12 154.05 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.561 ' CE3' HG22 ' A' ' 21' ' ' VAL . 4.8 m-90 55.6 31.87 18.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -45.87 -27.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -98.49 142.59 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.437 ' CZ2' ' CB ' ' A' ' 15' ' ' TRP . 71.0 t-105 -88.74 95.41 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -140.85 156.9 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 16.3 ttmt -83.86 117.13 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -134.92 157.2 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.67 120.26 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -113.09 138.92 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.61 133.53 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.29 105.18 17.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG2' ' SG ' ' A' ' 43' ' ' CYS . 60.6 t -101.44 135.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 36.4 tt0 -91.68 95.43 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -65.06 -61.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -116.26 168.15 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -50.68 -29.23 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -133.21 25.71 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -137.42 132.37 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 12.5 m-85 -129.97 169.1 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -150.79 145.35 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mmm -92.04 103.27 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' CG2' ' A' ' 33' ' ' VAL . 1.9 m -95.54 117.26 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.68 0.2 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -92.09 -30.04 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -127.66 110.28 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD22 ' CB ' ' A' ' 41' ' ' ALA . 8.6 tt -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.4 tp -119.77 110.73 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.36 122.63 24.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.8 mt -91.48 37.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.66 -32.2 69.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.421 ' C ' ' HD2' ' A' ' 83' ' ' LYS . . . -128.42 14.54 6.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -89.86 144.06 26.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.452 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 97.5 m -121.28 96.34 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.82 143.96 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -168.47 169.92 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' ' C ' ' A' ' 116' ' ' VAL . 10.1 m-85 -73.62 134.76 43.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -147.19 154.54 41.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.9 159.54 19.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.78 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -63.13 142.76 97.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.76 2.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -65.75 0.59 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.8 mt -51.18 111.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.299 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -109.24 37.68 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.66 125.27 5.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.34 160.09 18.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -93.7 -49.65 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -74.21 148.77 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 38.5 m-85 -131.45 111.48 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -135.6 119.96 17.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -117.94 159.7 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.75 144.83 43.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.1 t -105.95 134.09 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 18.8 tptm -126.18 153.83 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 23.7 mt-10 -34.0 -49.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.25 16.77 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.07 152.36 47.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.417 ' C ' HG23 ' A' ' 88' ' ' VAL . 21.5 m -138.69 132.02 30.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.173 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 87' ' ' THR . 61.9 t -139.53 139.03 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 90' ' ' PHE . 20.4 mt -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.505 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 88.0 m-85 -140.84 159.32 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.61 159.41 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -130.67 174.88 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -31.0 56.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -145.98 154.09 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.16 -51.28 67.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -46.38 -23.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.59 -39.3 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.427 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 31.1 ttp180 -53.23 -43.55 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mt -53.65 -55.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.0 mt -49.04 -38.95 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.569 ' CZ2' ' HB3' ' A' ' 10' ' ' HIS . 55.4 m95 -72.52 -47.74 46.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 49.7 t -55.07 -50.6 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -53.05 -49.08 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.46 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.2 mtp -46.2 -27.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -67.79 -60.72 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -59.56 -38.55 81.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.99 -51.89 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 p -75.1 -46.32 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.53 26.08 21.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.452 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 3.4 pt20 -52.71 176.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.9 m -101.47 -38.27 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -81.18 89.86 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 7.0 ttpt -56.86 126.89 73.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 136.05 31.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.742 2.294 . . . . 0.0 112.296 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.489 ' C ' ' CE2' ' A' ' 65' ' ' TYR . 93.2 t -121.62 123.62 27.45 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -159.7 131.37 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.6 p -126.79 151.79 47.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.8 152.36 6.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -62.52 122.39 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.389 . . . . 0.0 110.952 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.1 mt -139.22 159.43 42.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 3.0 m95 -104.27 122.14 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.543 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -141.45 148.56 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 tt -148.63 123.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.16 -161.24 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -99.52 -44.48 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.56 -40.88 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG22 ' CE3' ' A' ' 22' ' ' TRP . 17.5 m -120.92 160.88 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.483 ' CE3' HG22 ' A' ' 21' ' ' VAL . 4.8 m-90 50.19 31.37 5.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.54 -27.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -100.83 150.44 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.529 ' CE3' HD22 ' A' ' 72' ' ' LEU . 74.9 t-105 -88.57 86.4 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -126.83 156.51 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 15' ' ' TRP . 30.7 ttpt -99.16 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 18.2 ptp180 -133.26 168.82 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.51 115.84 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 42.9 m-85 -111.46 125.4 53.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 93.4 t -119.62 133.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.8 tp -83.92 114.73 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' CG2' ' SG ' ' A' ' 43' ' ' CYS . 15.6 t -106.51 145.44 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 61.3 tt0 -102.15 88.16 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -53.06 -54.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 m -142.47 -175.24 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 7.1 tp-100 -43.76 -62.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 1.7 m-85 -111.65 41.72 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 m -142.16 135.27 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 22.2 m-85 -140.55 165.03 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.82 144.68 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.463 ' HE2' ' CZ3' ' A' ' 101' ' ' TRP . 9.8 mmm -92.32 112.04 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.432 ' SG ' ' CG2' ' A' ' 33' ' ' VAL . 1.3 p -100.94 119.53 38.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.757 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.723 0.218 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.09 -66.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.87 111.46 12.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -125.14 129.29 49.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 15.0 tp -110.15 134.71 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -97.02 118.3 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 8.0 mt -90.36 35.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -37.35 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -123.31 -30.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.4 m-85 -34.61 142.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.422 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 51.5 m -124.17 95.71 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.182 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.46 142.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -167.49 167.56 13.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 25.8 m-85 -66.32 124.2 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -133.81 169.16 17.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.88 159.35 81.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.74 117.19 4.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.26 137.56 81.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.39 -60.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.7 mt -64.78 119.05 9.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.4 mt-10 -103.62 -59.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.6 101.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.12 151.9 10.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -96.52 -52.38 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.421 ' CB ' ' HD2' ' A' ' 98' ' ' ARG . . . -80.49 155.48 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 86.8 m-85 -130.6 132.6 45.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.529 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -151.53 119.2 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -118.23 160.89 20.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.05 148.76 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.9 t -107.37 123.07 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 13.1 tptm -121.16 155.14 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.3 mm-40 -34.38 -55.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.22 18.71 3.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.06 147.0 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 m -137.86 122.5 18.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.09 132.33 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.2 mt -105.25 141.9 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.543 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 50.2 m-85 -128.91 156.19 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.65 153.76 43.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 p -122.69 173.73 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -92.23 -37.19 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 168.57 9.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.69 -31.79 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -59.57 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -45.45 -36.77 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 99' ' ' ILE . 19.1 ttt180 -49.74 -69.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 98' ' ' ARG . 12.4 mt -43.7 -46.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.7 -45.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.463 ' CZ3' ' HE2' ' A' ' 42' ' ' MET . 61.8 m95 -66.23 -44.35 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.29 -43.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.55 -60.9 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 90.8 mtp -47.78 -32.42 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -61.84 -53.89 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -64.25 -33.66 76.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.493 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . . . -53.44 -56.59 15.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 19.5 p -71.72 -41.39 68.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.12 30.7 30.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.422 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 4.3 pt20 -54.28 174.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.2 p -91.94 -41.67 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -88.59 104.93 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.47 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -70.29 135.23 86.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.415 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.81 144.56 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.543 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 59.9 t -130.83 137.45 30.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.677 0.751 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -172.04 131.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 p -121.45 155.43 34.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.76 151.38 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -66.8 140.29 57.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' CZ2' ' A' ' 101' ' ' TRP . 23.3 mt -149.98 160.13 43.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.8 m95 -103.93 116.84 33.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 90' ' ' PHE . . . -138.92 152.96 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -147.65 125.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.21 -177.17 15.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -91.18 -29.07 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -102.22 -33.28 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG2' ' CE3' ' A' ' 22' ' ' TRP . 18.2 m -133.12 153.49 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CE3' ' CG2' ' A' ' 21' ' ' VAL . 5.8 m0 62.79 27.17 15.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' TRP . 22.1 mmmt -35.53 -39.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -92.66 141.15 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CE3' HD22 ' A' ' 72' ' ' LEU . 61.1 t-105 -83.48 92.18 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -135.96 156.67 48.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 15' ' ' TRP . 24.3 ttpp -83.96 120.76 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -133.5 145.31 50.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.22 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -91.26 135.6 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.6 t -132.97 124.82 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -81.81 106.37 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.56 139.0 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 48.7 tt0 -96.3 99.78 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.61 -53.31 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 m -132.08 -176.54 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.65 -44.76 73.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -122.03 33.72 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 6.6 m -137.62 138.89 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.449 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 35.5 m-85 -143.73 166.16 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . . . -149.29 146.07 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.471 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 43.8 mmm -93.36 101.32 13.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -94.47 119.58 33.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.742 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.714 0.214 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -49.28 -56.96 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -103.4 138.91 39.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 7.8 tp -140.35 128.92 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.0 tp -124.3 106.82 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -70.55 137.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mt -101.72 35.96 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.64 43.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.63 -29.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -49.87 134.89 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.941 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.409 HG21 ' CD ' ' A' ' 111' ' ' GLN . 31.6 m -111.29 99.8 8.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 p -86.7 142.36 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.44 135.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -42.07 120.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -127.03 166.32 17.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -60.2 155.89 42.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.76 133.37 25.39 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -79.48 135.97 56.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.51 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.32 -50.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD22 ' CE3' ' A' ' 25' ' ' TRP . 23.8 mt -65.01 119.64 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 49.4 mt-10 -127.21 -29.29 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.98 -45.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.54 162.36 12.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -85.97 -69.61 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB1' ' CD ' ' A' ' 98' ' ' ARG . . . -60.01 154.67 18.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 57.5 m-85 -131.45 113.17 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.2 p90 -138.43 120.72 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 39.9 p30 -120.29 161.66 20.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.16 141.64 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.76 128.29 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.3 tptp -121.99 155.55 35.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 32.4 mm-40 -34.44 -53.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.66 15.73 3.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -126.26 149.09 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -138.34 133.84 33.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.58 ' CG1' ' CE1' ' A' ' 90' ' ' PHE . 92.1 t -142.98 130.83 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.3 mt -103.99 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CE1' ' CG1' ' A' ' 88' ' ' VAL . 45.5 m-85 -132.69 161.18 34.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.13 163.7 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -135.51 159.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.85 -49.54 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -130.16 152.36 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.73 -56.59 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -46.09 -21.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -80.58 -57.39 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.448 ' CD ' ' HB1' ' A' ' 77' ' ' ALA . 7.2 ptt180 -48.3 -25.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.33 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.41 -38.35 58.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.489 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 40.9 m95 -68.71 -46.77 68.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 98' ' ' ARG . 88.0 t -60.49 -43.12 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.11 -42.95 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.98 -54.67 12.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 33.1 mmm -53.86 -36.53 62.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.519 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.0 t80 -59.13 -57.45 12.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -64.29 -39.93 94.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -55.04 -43.68 74.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.9 p -80.72 -45.1 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.64 35.44 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.409 ' CD ' HG21 ' A' ' 62' ' ' THR . 4.0 pt20 -59.65 177.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.8 p -91.13 -42.77 10.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -89.87 110.91 21.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.6 tttm -74.27 138.23 75.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 114' ' ' LYS . 54.0 Cg_endo -69.76 149.55 67.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.9 126.55 21.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -142.94 154.84 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 p -148.57 165.7 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.13 162.96 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.38 137.85 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 HD13 ' CZ2' ' A' ' 101' ' ' TRP . 83.2 mt -153.22 160.25 42.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CE2' ' HB2' ' A' ' 27' ' ' LYS . 2.0 m95 -108.43 121.76 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . . . -144.6 158.65 43.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tt -153.4 124.93 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.74 -161.41 11.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -102.53 -35.26 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.02 -34.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.433 HG21 ' CE3' ' A' ' 22' ' ' TRP . 18.9 m -131.23 153.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CE3' HG21 ' A' ' 21' ' ' VAL . 5.5 m-90 59.49 35.37 22.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -33.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -99.65 157.04 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 65.9 t-105 -95.03 86.81 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 157.3 42.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 25.2 ttpt -85.43 115.73 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -128.05 169.25 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -75.0 99.29 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 25.1 m-85 -92.56 118.61 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.8 t -123.53 123.58 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -79.3 103.56 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.72 147.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.4 tt0 -104.03 97.91 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.38 -52.27 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 p -133.86 -175.03 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -52.82 -61.74 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.448 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 1.1 m-85 -108.71 38.64 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 m -142.74 133.56 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 19.0 m-85 -138.68 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.14 148.63 28.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 83.8 mmm -96.2 102.77 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -94.0 126.86 39.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.75 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.74 0.225 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.21 -41.31 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -122.57 135.33 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.4 tp -136.48 136.8 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 tp -134.69 106.99 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.94 124.05 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mt -98.84 38.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.59 -33.9 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.18 -4.01 7.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 83' ' ' LYS . 38.7 m-85 -69.66 144.92 52.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.4 m -121.39 99.15 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -83.31 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.4 p30 -159.16 167.81 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 52.1 m-85 -69.74 127.49 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 t -137.09 155.51 49.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.15 159.85 19.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.5 Cg_endo -69.76 123.72 10.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -72.12 137.74 81.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 93.14 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.92 -49.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.6 115.96 11.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.9 tt0 -101.95 -64.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.35 114.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.99 138.46 9.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.49 -64.19 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.01 139.41 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 54.0 m-85 -120.05 111.22 17.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.6 p90 -135.21 127.34 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -127.99 161.86 28.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.06 153.25 34.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.15 138.79 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 21.5 tptm -128.38 157.03 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 83' ' ' LYS . 5.4 mm-40 -33.0 -49.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.82 15.81 2.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 150.49 49.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.0 m -138.83 131.25 28.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.558 HG12 ' CZ ' ' A' ' 90' ' ' PHE . 61.0 t -135.57 142.57 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.417 ' N ' HG13 ' A' ' 88' ' ' VAL . 32.6 mt -111.79 152.38 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CZ ' HG12 ' A' ' 88' ' ' VAL . 58.7 m-85 -142.77 158.4 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -148.81 163.29 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.5 p -137.2 170.96 15.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.59 -47.2 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.01 155.98 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.58 -34.99 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -58.97 -37.93 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.53 -49.79 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -43.99 -45.16 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.6 mt -66.67 -40.33 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.71 -33.64 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.474 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 79.6 m95 -84.02 -38.12 21.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 115' ' ' PRO . 40.2 t -66.65 -40.85 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -67.67 -46.42 72.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.41 -52.0 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 94.4 mtp -58.11 -33.52 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -57.09 -59.02 5.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -57.53 -40.58 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -50.91 -50.68 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.7 p -74.43 -41.27 61.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.07 29.68 45.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -54.12 168.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.5 m -80.5 -43.16 21.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -78.07 173.53 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -129.31 130.04 23.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.467 ' HB2' ' CG1' ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.8 129.65 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.528 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 7.6 p -118.52 138.01 25.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -63.9 165.78 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -58.14 -47.87 82.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.81 -148.61 18.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -166.49 121.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -71.21 171.08 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.8 139.92 3.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 mtp -116.07 136.07 53.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -113.06 -47.73 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -156.6 134.0 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -127.89 155.02 44.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.86 152.09 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -64.82 140.41 58.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD11 ' CZ2' ' A' ' 101' ' ' TRP . 67.1 mt -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.0 m95 -103.02 117.94 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.71 148.7 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.17 125.62 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.74 -159.93 11.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -102.72 -43.7 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -93.5 -31.35 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 HG23 ' CE3' ' A' ' 22' ' ' TRP . 21.8 m -126.31 166.59 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.412 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.9 m-90 43.64 31.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -38.34 -38.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 151.14 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.488 ' CD2' HD23 ' A' ' 72' ' ' LEU . 50.6 t-105 -99.39 94.1 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -145.86 155.43 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.6 ttpp -67.7 106.94 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -126.02 155.93 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE2' HG22 ' A' ' 31' ' ' VAL . 14.3 t80 -59.29 139.61 56.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -139.29 129.8 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 HG22 ' CE2' ' A' ' 29' ' ' PHE . 96.6 t -136.05 126.75 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -85.25 109.53 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -105.84 155.39 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.5 tt0 -104.12 105.94 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.41 -57.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -124.25 168.44 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 9.6 mt-30 -40.63 -42.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.5 38.11 4.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.85 131.72 24.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 6.6 m-85 -131.81 165.85 22.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.6 149.57 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.05 102.8 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 19.4 m -95.53 120.74 36.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -98.36 93.91 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 45.5 m-85 -88.83 92.1 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -87.46 -33.71 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.52 170.98 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -105.02 96.78 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 71.83 48.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.63 173.54 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.95 151.72 63.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.9 61.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -60.53 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -109.49 147.43 32.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 56' ' ' LEU . 5.5 tp -149.24 134.37 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 55' ' ' LEU . 16.4 tp -132.33 108.44 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -67.68 124.35 23.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.2 mt -85.09 31.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 17.8 p-10 -78.86 76.88 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . 125.51 -41.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.1 m-85 -37.43 135.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 0.0 110.952 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.7 m -110.41 94.09 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.44 HG21 ' N ' ' A' ' 64' ' ' ASP . 6.7 p -83.31 136.1 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.44 ' N ' HG21 ' A' ' 63' ' ' VAL . 1.8 p-10 -164.58 151.39 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.24 130.23 41.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 t -140.68 149.88 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.87 157.72 7.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.3 Cg_endo -69.78 107.83 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -62.94 142.75 97.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.82 -61.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.488 HD23 ' CD2' ' A' ' 25' ' ' TRP . 34.9 mt -56.28 106.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -119.63 64.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.14 -63.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.03 179.02 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -82.89 -69.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.55 144.87 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.9 m-85 -128.82 129.35 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -155.56 121.65 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -119.59 156.6 30.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.43 135.19 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.84 127.46 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 15.4 tptm -125.26 155.97 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.51 -55.27 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.87 15.47 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -126.61 143.57 51.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.4 m -138.72 122.75 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 90' ' ' PHE . 41.7 t -129.85 140.78 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.3 mt -108.28 153.31 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CE1' HG11 ' A' ' 88' ' ' VAL . 73.6 m-85 -140.06 150.16 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.41 149.03 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 p -122.54 -178.32 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -82.11 -32.17 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 3.4 p-10 -133.99 162.61 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -73.35 -32.28 64.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.29 -46.76 85.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.88 -50.19 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -42.01 -56.32 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.7 mt -48.42 -52.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.35 -29.95 62.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 44.7 m95 -79.49 -42.86 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.15 -42.5 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -59.14 -40.24 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.2 -57.9 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.8 mmm -51.25 -39.71 57.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 6.7 t80 -52.16 -53.58 41.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -66.35 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.41 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . . . -54.67 -41.45 70.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 61' ' ' TYR . 29.8 p -84.65 -45.05 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.43 36.61 16.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -60.56 172.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -88.25 -42.2 12.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -89.18 103.38 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 74.8 tttt -67.77 135.64 92.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.55 65.43 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.464 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 14.9 p -138.44 136.8 19.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.6 Cg_endo -69.81 127.24 14.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.4 t -130.82 37.81 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -86.92 89.77 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 t -41.37 -61.63 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 160.42 83.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.72 6.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.6 m -123.58 137.43 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -83.65 155.06 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -99.07 140.41 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -81.88 -48.56 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.33 82.8 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -137.05 145.84 44.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -91.91 143.89 26.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.6 70.76 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 mtt -96.27 120.88 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -99.17 -55.76 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.55 125.58 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -121.13 130.1 53.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.98 163.92 29.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -76.54 131.3 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 110.966 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' CZ2' ' A' ' 101' ' ' TRP . 95.7 mt -146.33 158.68 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 4.6 m95 -100.8 121.53 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.1 147.88 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -146.12 125.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.92 -175.96 14.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -82.71 -52.01 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.301 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -87.81 -35.46 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.6 m -117.98 154.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.418 ' C ' ' N ' ' A' ' 24' ' ' ARG . 4.7 m-90 50.14 34.57 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -43.31 -23.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 22' ' ' TRP . 14.3 ttp180 -112.36 150.13 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.541 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.4 t-105 -85.17 89.19 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -124.2 155.98 37.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 22.1 ttpp -97.27 107.25 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -128.75 169.62 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -71.33 128.22 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 17.7 m-85 -119.61 142.69 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -140.71 125.92 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -79.74 100.4 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.69 150.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 tt0 -104.99 98.41 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.445 ' CG2' ' HB1' ' A' ' 41' ' ' ALA . 5.5 t -62.79 -55.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 m -128.79 -176.05 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -56.89 -45.0 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -117.98 24.76 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 3.9 m -130.4 144.33 51.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 39' ' ' THR . 20.5 m-85 -144.12 160.44 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HB1' ' CG2' ' A' ' 35' ' ' VAL . . . -145.53 147.63 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.42 ' HE2' ' CZ3' ' A' ' 101' ' ' TRP . 40.2 mmm -94.54 102.79 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 89.0 m -99.78 130.47 45.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.9 p -113.21 113.99 26.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -102.22 136.66 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.23 -30.78 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -124.72 165.42 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -51.68 68.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -114.56 97.2 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -174.08 163.89 4.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.4 150.0 50.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.639 0.733 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -48.08 -47.59 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -114.87 146.61 40.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 tp -152.01 141.47 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.4 tp -132.45 110.01 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -78.47 121.2 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.78 33.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.97 -52.8 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.03 22.1 4.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 15.2 m-85 -75.69 142.46 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.436 ' HB ' ' CG1' ' A' ' 82' ' ' VAL . 17.0 m -117.39 100.63 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.7 p -89.23 132.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -156.67 157.96 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 11.8 m-85 -64.34 136.07 56.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -147.72 166.13 28.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 155.12 85.02 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.75 107.43 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.42 ' NE2' HG22 ' A' ' 89' ' ' ILE . 15.9 mp0 -53.63 139.18 50.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.726 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.7 -60.72 0.67 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 HD21 ' CE3' ' A' ' 25' ' ' TRP . 34.3 mt -52.15 111.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -113.7 72.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.452 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -166.51 96.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.27 15.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -90.74 -60.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.65 150.2 38.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 73.4 m-85 -131.33 108.02 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.501 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 13.9 p90 -125.04 122.16 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 36.3 p30 -117.94 158.76 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.62 153.51 32.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 83' ' ' LYS . 3.9 p -118.19 136.15 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.5 tptm -125.85 156.74 39.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 14.2 mt-10 -34.05 -51.9 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.14 14.11 3.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.03 150.47 49.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.41 ' C ' HG22 ' A' ' 88' ' ' VAL . 16.7 m -138.67 137.98 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.467 ' CG1' ' CE1' ' A' ' 90' ' ' PHE . 33.2 t -142.53 148.64 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.441 ' N ' HG11 ' A' ' 88' ' ' VAL . 11.6 mt -122.22 140.17 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.541 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 24.7 m-85 -130.72 159.42 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.92 156.78 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.4 p -126.55 163.92 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -69.4 -44.73 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.95 147.52 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.416 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 3.4 tm-20 -46.89 -57.03 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -44.75 -47.96 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -50.5 -52.06 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -47.4 -61.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -38.23 -58.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -45.94 -39.53 8.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.468 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 60.1 m95 -75.48 -49.66 18.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.414 HG11 ' CE1' ' A' ' 65' ' ' TYR . 39.6 t -52.87 -51.53 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -53.56 -51.72 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 87.2 mtp -46.28 -33.23 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -60.07 -60.35 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -59.28 -35.28 73.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.27 -47.66 68.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.9 p -79.84 -42.09 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.39 27.38 39.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 5.4 pt20 -50.5 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -95.34 -41.84 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -85.94 109.94 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 19.0 ttpt -71.19 131.33 87.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 143.2 50.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 87.7 t -127.34 138.6 33.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.455 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.74 138.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.18 25.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.3 p -132.51 84.06 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -49.69 105.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.2 p -146.2 140.52 26.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -116.19 160.92 13.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.11 25.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m 55.85 42.09 29.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.8 m -122.08 -60.24 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.517 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -100.37 98.54 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -133.3 113.22 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.89 -151.35 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -43.72 151.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m 41.48 45.93 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.03 -41.19 95.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.0 mtm -84.38 127.34 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -89.09 -58.1 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.551 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 1.8 t60 -131.5 136.86 48.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -135.45 135.8 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.52 165.99 20.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -74.62 142.39 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.953 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 mt -154.34 159.91 41.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.3 m95 -107.86 119.85 40.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.45 157.12 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.11 123.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.05 12.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -102.21 -40.7 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -95.26 -39.71 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG2' ' CE3' ' A' ' 22' ' ' TRP . 17.4 m -116.28 168.7 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.462 ' CE3' ' CG2' ' A' ' 21' ' ' VAL . 4.6 m-90 41.67 38.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -55.9 -15.4 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 124.99 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -71.83 100.25 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -146.55 155.89 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 47.3 tttt -78.4 102.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -118.12 168.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.55 121.99 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -115.63 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -133.43 129.55 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.21 105.75 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.48 153.62 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 65.1 tt0 -104.7 112.92 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -84.16 -58.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -124.07 -179.25 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 12.7 tp60 -46.53 -50.84 16.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 4.2 m-85 -122.13 39.34 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.41 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 4.1 m -138.65 138.57 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 19.5 m-85 -140.26 172.11 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.34 149.25 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.6 mmm -95.34 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -92.29 128.02 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -104.0 84.95 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -73.36 150.33 41.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -120.72 -27.66 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 9.3 tp10 -148.83 139.48 22.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 12.9 pttm -41.37 -41.74 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 14.6 mtpp -85.57 -54.63 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . . . -47.29 141.8 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.82 152.4 44.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 116.23 4.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -79.27 -72.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -66.33 111.99 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tt -127.26 122.54 34.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' CE2' ' A' ' 61' ' ' TYR . 17.7 tp -113.09 119.48 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -83.9 129.29 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 4.2 mt -98.01 33.87 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.62 -29.97 66.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -128.85 -32.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 8.4 m-85 -34.53 141.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.4 m -119.03 95.15 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 64' ' ' ASP . 6.0 p -82.8 138.57 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.1 p-10 -163.64 164.08 24.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 24.8 m-85 -66.59 129.5 40.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -141.18 159.5 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.36 157.73 80.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 115.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.761 2.307 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -61.64 134.48 93.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.72 -53.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.24 131.54 50.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -121.16 39.79 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.63 137.11 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.45 163.45 2.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -92.66 -69.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB1' ' NE ' ' A' ' 98' ' ' ARG . . . -60.95 148.46 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 77.8 m-85 -129.19 112.15 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 3.3 p90 -133.47 130.37 38.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 45.0 p30 -127.3 167.89 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . . . -115.96 147.18 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -107.37 127.78 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 9.6 tptm -126.97 156.07 42.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.45 -54.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.59 19.03 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.83 146.41 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 m -138.38 126.23 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.479 HG13 ' CE1' ' A' ' 90' ' ' PHE . 46.7 t -133.65 132.72 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.448 ' HA ' ' CB ' ' A' ' 80' ' ' ASN . 14.9 mt -103.09 154.13 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.542 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 26.5 m-85 -142.55 162.79 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.04 176.26 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -147.05 171.66 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.54 -43.6 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -122.87 154.3 38.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.96 -48.85 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -51.74 -40.65 60.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -54.7 -53.69 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.533 ' HG3' ' CD1' ' A' ' 79' ' ' PHE . 45.6 ttp180 -42.97 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ARG . 33.5 mt -36.94 -57.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -45.93 -47.15 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.551 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 77.0 m95 -66.97 -46.44 74.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.485 HG12 ' CE1' ' A' ' 65' ' ' TYR . 37.8 t -55.64 -45.97 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -60.48 -46.75 88.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.98 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 84.7 mtp -43.11 -35.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.2 t80 -57.03 -58.42 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -63.4 -31.23 72.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.75 87.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 24.3 p -79.97 -40.87 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.85 31.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -56.66 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -95.62 -43.17 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.33 100.68 12.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 13.8 ttmm -62.77 138.18 96.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.09 46.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.55 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 9.3 p -114.94 137.39 22.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.4 Cg_endo -69.75 127.3 14.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -177.08 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 4.0 t -142.96 108.29 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -120.58 137.8 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.5 t -114.63 -44.3 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 149.39 -166.55 29.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 84.97 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -133.04 129.39 38.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.2 t -165.82 174.73 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 29.4 t -116.21 108.09 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.809 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 49.4 m -35.26 151.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.99 49.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 t -102.38 131.06 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -83.94 -50.01 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.96 91.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 mtt -107.11 102.58 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -74.79 -51.26 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.7 m -135.58 146.51 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.55 147.69 4.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.461 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.0 m-85 -56.42 132.98 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD11 ' CZ2' ' A' ' 101' ' ' TRP . 64.1 mt -149.47 138.26 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 3.8 m95 -83.62 126.22 32.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -147.48 148.14 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 tt -140.88 124.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.07 -177.81 16.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -86.75 -40.18 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -97.93 -35.45 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG21 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -121.03 161.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.455 ' CE3' HG21 ' A' ' 21' ' ' VAL . 4.6 m-90 47.64 28.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -41.37 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -103.47 139.7 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.487 ' CD2' HD21 ' A' ' 72' ' ' LEU . 70.7 t-105 -83.57 96.73 8.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -145.73 154.45 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 17.4 ttpp -73.87 120.72 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -134.96 145.48 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -60.45 104.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -100.81 140.06 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -141.83 130.68 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -82.72 118.65 23.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -111.41 151.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 58.6 tt0 -105.87 107.28 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.31 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 t -121.5 172.82 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -47.31 -39.5 14.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.15 37.49 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -140.8 133.12 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 20.9 m-85 -135.84 166.17 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.62 150.73 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 72.0 mmm -92.36 106.5 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.3 m -100.27 116.84 33.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -99.78 77.75 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.89 141.77 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -91.63 -18.11 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' HB2' ' A' ' 50' ' ' ALA . 8.3 tt0 -161.73 161.99 29.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -38.21 -44.61 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 4.3 tppt? -107.67 -42.45 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HB2' ' N ' ' A' ' 47' ' ' GLU . . . -34.09 132.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.42 151.2 96.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 93.24 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.33 -59.04 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -93.68 137.23 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.7 tp -146.04 133.44 20.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 tp -123.63 107.3 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -74.58 125.46 28.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mt -96.68 38.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.84 -21.01 63.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.25 -0.87 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 11.9 m-85 -74.11 136.09 42.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -109.18 95.09 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 p -83.0 142.73 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -171.7 149.88 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.0 m-85 -52.11 136.48 29.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -144.14 163.18 34.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -65.79 157.65 78.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.74 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -58.02 143.02 78.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.29 -52.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD21 ' CD2' ' A' ' 25' ' ' TRP . 20.9 mt -68.62 123.25 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 5.6 tp10 -112.37 -61.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.3 107.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.1 144.9 16.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -90.4 -50.9 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -67.03 141.89 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 53.8 m-85 -127.89 115.41 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.2 p90 -140.15 124.52 17.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -122.87 164.26 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.39 152.58 32.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.84 125.63 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.3 tptm -123.74 155.84 37.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 28.4 mm-40 -34.48 -56.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.77 18.9 3.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.9 148.13 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -138.14 122.76 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.496 HG11 ' CE1' ' A' ' 90' ' ' PHE . 28.4 t -129.7 140.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.8 mt -110.99 157.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.541 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 92.6 m-85 -143.81 153.08 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.87 150.71 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 p -123.58 -175.88 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -86.89 -41.32 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 21.0 t0 -119.8 155.68 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 46.7 tt0 -66.12 -40.21 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -43.34 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -55.02 -50.25 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.457 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 46.2 ttp180 -45.88 -46.71 15.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 29.7 mt -55.06 -50.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.0 mt -51.96 -46.17 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.552 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 68.0 m95 -67.52 -44.27 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.964 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -58.43 -40.48 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.06 -44.73 91.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 84.0 mtp -47.74 -30.84 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.7 OUTLIER -60.79 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -72.84 -36.93 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.429 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -51.83 -43.12 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 61' ' ' TYR . 9.8 p -81.51 -48.32 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.72 25.15 23.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -51.81 177.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.9 m -99.74 -40.16 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.8 99.29 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.55 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 34.9 tttp -63.96 135.57 96.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.91 26.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.582 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 5.0 p -104.53 138.66 19.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.1 Cg_endo -69.76 113.83 3.5 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 179.38 3.75 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.745 2.297 . . . . 0.0 112.303 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -161.75 123.73 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -126.61 153.13 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -75.7 -62.64 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -170.37 -99.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.2 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 m 62.66 37.76 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.8 m -125.78 83.67 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t 53.99 42.59 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 66.25 41.22 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.43 102.67 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -80.93 -48.45 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -129.47 152.51 48.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 69.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.62 159.86 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -103.28 -51.55 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -125.53 154.48 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.1 p -151.14 163.29 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.08 167.26 11.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.16 128.81 34.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.886 0.374 . . . . 0.0 110.951 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.5 mt -141.98 160.86 39.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.575 ' CE3' ' N ' ' A' ' 27' ' ' LYS . 2.3 m95 -99.06 117.92 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -135.88 153.18 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -148.85 127.33 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.98 -157.39 9.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.533 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -101.41 -42.82 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -93.7 -39.97 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG22 ' CE3' ' A' ' 22' ' ' TRP . 19.4 m -113.92 169.02 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.469 ' CE3' HG22 ' A' ' 21' ' ' VAL . 4.1 m-90 37.87 38.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -43.69 -22.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.9 mmt85 -106.11 164.73 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.1 t-105 -105.92 95.53 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -146.32 154.19 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' N ' ' CE3' ' A' ' 15' ' ' TRP . 33.9 tttp -70.08 120.36 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -130.65 154.84 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CE2' HG23 ' A' ' 31' ' ' VAL . 59.1 t80 -69.33 98.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.404 ' CZ ' ' HB1' ' A' ' 16' ' ' ALA . 19.8 m-85 -96.49 138.77 33.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' A' ' 29' ' ' PHE . 76.3 t -139.0 122.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.3 tp -79.46 103.25 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -99.12 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.54 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 61.6 tt0 -98.29 101.59 13.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 t -71.3 -61.64 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -115.6 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -48.96 -40.94 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -125.25 33.12 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -136.82 136.5 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 20.1 m-85 -138.86 163.99 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.13 149.57 30.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.85 103.73 16.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -99.24 124.91 44.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -103.9 81.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.92 111.45 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -74.97 -11.98 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -158.91 175.49 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HG3' ' CD ' ' A' ' 49' ' ' LYS . 7.6 ptpp? -67.33 -33.42 75.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -109.43 -50.89 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.31 115.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.87 151.54 53.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.698 0.761 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -49.52 -51.74 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -95.3 134.13 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -149.16 115.4 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.5 tp -105.8 110.27 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.09 128.0 34.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.6 mt -93.43 35.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -79.95 43.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.27 -36.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 11.3 m-85 -39.15 144.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 m -115.4 93.91 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -83.59 133.87 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -161.51 155.78 22.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.8 m-85 -61.47 134.69 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.4 t -146.37 162.06 39.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.68 152.83 44.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.77 105.11 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 69' ' ' GLN . 1.1 mp0 -46.77 138.05 7.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.679 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 128.24 -62.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' GLY . 27.3 mt -36.03 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.64 113.71 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -177.41 -44.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.95 178.8 18.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -89.03 -61.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.25 144.87 53.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 78.4 m-85 -129.17 118.15 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.4 p90 -136.54 121.88 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -111.59 173.78 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.86 139.28 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.76 126.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 12.6 tptm -124.23 156.04 37.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 83' ' ' LYS . 9.6 mm-40 -32.84 -44.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.22 24.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.23 148.21 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 m -138.73 117.51 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 90' ' ' PHE . 49.9 t -131.5 140.62 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.434 ' N ' HG11 ' A' ' 88' ' ' VAL . 6.3 mt -111.74 153.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 46.4 m-85 -141.73 163.03 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.05 174.89 11.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.3 p -147.39 176.53 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.66 -43.26 56.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.19 156.32 49.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -53.79 -44.74 70.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.22 67.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -54.49 -46.07 73.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -47.42 -61.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.54 -61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -39.28 -40.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -77.83 -51.96 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.1 t -48.46 -49.82 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.37 -50.83 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.14 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 86.0 mtp -46.89 -33.0 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 7.3 t80 -59.48 -57.39 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtt-85 -64.09 -40.7 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB2' ' CG ' ' A' ' 40' ' ' PHE . . . -53.52 -35.13 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.8 p -89.07 -41.29 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.49 37.38 31.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -59.97 174.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -87.17 -45.01 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -91.97 117.3 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 19.0 tttp -76.15 134.54 70.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.08 52.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.508 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 5.5 p -125.57 138.63 32.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.4 Cg_endo -69.74 124.19 10.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -176.24 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.8 t -174.46 137.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.79 129.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -174.87 111.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -141.44 147.07 18.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.22 63.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.1 t -172.62 130.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 m -72.0 -59.99 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t 56.86 42.32 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -134.09 160.22 38.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.64 -77.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -39.46 -61.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -88.82 -53.52 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.52 -46.12 1.09 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -38.47 133.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -107.32 -54.35 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -140.62 162.05 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.0 p -157.82 143.76 17.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.05 150.2 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -53.29 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD11 ' CE2' ' A' ' 101' ' ' TRP . 93.4 mt -151.23 159.68 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -112.58 119.44 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.571 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -141.87 154.5 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -147.53 120.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.38 -172.44 15.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -86.81 -43.1 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.85 -39.11 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG21 ' CE3' ' A' ' 22' ' ' TRP . 27.2 m -116.67 159.64 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.49 ' CZ2' ' CE2' ' A' ' 30' ' ' PHE . 4.7 m-90 50.18 30.32 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -39.83 -31.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -105.39 147.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CE3' HD23 ' A' ' 72' ' ' LEU . 75.1 t-105 -85.31 99.54 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.24 154.33 46.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 22.4 tttm -81.8 110.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -127.58 165.15 20.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -78.24 107.19 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' CZ2' ' A' ' 22' ' ' TRP . 21.3 m-85 -98.65 140.2 33.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.58 141.98 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.8 tp -96.6 106.37 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.41 139.53 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -96.34 101.71 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 t -71.36 -64.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -116.92 178.52 4.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -52.68 -41.55 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -124.84 37.13 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -142.04 136.37 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.507 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 36.7 m-85 -137.65 168.4 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.89 143.16 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.557 ' HE3' ' CZ3' ' A' ' 101' ' ' TRP . 81.3 mmm -92.27 103.14 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 m -92.44 131.83 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.7 t -109.89 111.31 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -104.39 137.2 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.9 -52.42 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 2.6 tt0 -97.43 159.32 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 49' ' ' LYS . 1.1 ptpm? -63.47 -49.48 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 48' ' ' LYS . 15.6 mtmm -111.13 60.63 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . . . -139.87 141.19 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -76.32 150.1 82.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 91.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -57.21 -47.08 82.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -94.32 121.57 35.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 tt -142.61 114.43 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 88' ' ' VAL . 16.7 tp -109.44 114.42 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 11.0 mt-30 -76.75 137.49 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 10.0 mt -105.54 38.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.18 -68.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.73 18.64 29.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 18.2 m-85 -75.65 150.15 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.4 m -122.19 94.49 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' O ' ' OD1' ' A' ' 64' ' ' ASP . 6.5 p -82.76 135.0 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 63' ' ' VAL . 24.6 m-20 -158.95 -177.8 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.42 129.17 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -137.8 154.08 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.65 153.35 83.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -47.41 140.54 7.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.08 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.54 -52.71 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.571 HD23 ' CE3' ' A' ' 25' ' ' TRP . 18.5 mt -65.67 108.48 2.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -109.45 64.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.61 96.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 155.69 16.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -88.54 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -69.07 146.08 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 40.5 m-85 -131.33 124.99 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.9 p90 -143.32 120.14 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -114.44 156.26 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.37 155.38 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.21 129.06 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 21.6 tptm -126.5 156.93 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 44.3 mm-40 -33.91 -52.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.44 18.82 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.17 144.65 50.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -135.54 137.27 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.551 HG12 ' CZ ' ' A' ' 90' ' ' PHE . 61.7 t -144.99 137.9 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 90' ' ' PHE . 13.7 mt -109.87 148.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 48.5 m-85 -137.72 163.38 31.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.17 162.66 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -135.11 167.36 21.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.12 -52.83 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.6 164.56 16.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -46.15 89.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -51.31 -53.15 38.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.14 -52.63 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' TRP . 41.3 ttp180 -44.53 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ARG . 77.1 mt -36.82 -53.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 mt -50.96 -41.14 59.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.557 ' CZ3' ' HE3' ' A' ' 42' ' ' MET . 67.5 m95 -73.64 -47.14 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 55.1 t -57.75 -37.84 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -67.42 -44.79 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.41 -62.15 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 67.1 mtp -51.6 -31.26 24.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.4 t80 -59.48 -53.62 56.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -67.73 -36.76 81.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.507 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.24 -44.39 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 61.5 p -81.05 -45.42 16.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.6 32.32 13.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -54.48 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -104.46 -39.19 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -86.46 101.58 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 39.0 tttm -62.98 125.75 87.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.38 47.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 117' ' ' PRO . 85.0 t -135.83 136.96 24.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' N ' HG11 ' A' ' 116' ' ' VAL . 53.5 Cg_endo -69.8 135.06 29.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 164.24 35.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -111.95 40.52 2.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 153.29 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.6 t -94.51 -60.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.31 174.35 13.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 124' ' ' SER . 53.8 Cg_endo -69.8 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 123' ' ' PRO . 26.3 m -34.7 -59.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 m -83.27 163.5 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -126.28 55.21 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -154.23 115.34 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.13 136.08 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -112.62 110.47 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -134.18 92.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 -81.13 0.44 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ttm -45.17 121.84 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -103.55 -54.32 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 100' ' ' LEU . 22.1 m-70 -135.42 140.27 44.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -143.24 141.82 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.68 159.32 9.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.81 129.24 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 101' ' ' TRP . 96.7 mt -143.76 159.28 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.2 m95 -108.53 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' HB1' ' CE2' ' A' ' 90' ' ' PHE . . . -134.81 158.4 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 tt -154.22 124.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.44 -164.51 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -92.91 -43.67 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -98.35 -33.81 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.26 159.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 43.68 35.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -43.14 -27.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -105.27 149.35 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.2 t-105 -89.57 100.09 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -142.29 156.2 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 14.6 tttt -83.95 112.59 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -130.35 160.05 35.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -69.57 116.18 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -108.93 141.49 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.6 t -140.75 139.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.3 tp -93.17 105.38 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 t -98.99 140.96 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.478 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 37.3 tt0 -96.7 103.73 15.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.37 -62.2 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -113.99 170.88 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -46.82 -39.95 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.64 35.63 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -139.15 136.15 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 11.6 m-85 -135.8 166.77 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.34 149.77 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.526 ' HE2' ' CZ3' ' A' ' 101' ' ' TRP . 31.5 mmm -92.47 108.15 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 m -100.02 115.16 29.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 t -96.49 101.17 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -90.89 135.73 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -100.1 -65.39 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.91 169.87 15.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -46.95 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -125.35 90.45 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . . . -157.05 135.12 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' ALA . 38.8 mm-40 -37.52 147.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.729 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 53.8 Cg_endo -69.74 101.15 0.87 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' PRO . 13.0 mt-30 -36.92 -31.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 mp0 -137.02 154.86 50.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 tp -154.84 129.88 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 tp -126.58 108.93 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -78.35 121.66 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.1 mt -87.03 35.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -44.96 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -129.38 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 17.6 m-85 -34.97 139.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 3.5 m -114.0 100.14 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.1 p -82.86 146.89 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.49 167.64 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.542 ' CE1' HG12 ' A' ' 102' ' ' VAL . 11.3 m-85 -76.2 136.51 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -144.93 170.18 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.9 153.32 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.549 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.74 115.57 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -66.49 141.1 96.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 108.83 2.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.47 -62.7 0.61 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -50.78 114.21 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.314 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 8.6 pt-20 -122.4 90.73 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -144.05 -56.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -174.47 13.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.514 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 30.8 ttm-85 -87.7 -67.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.82 146.24 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 74.6 m-85 -131.42 109.27 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -123.61 125.43 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -120.81 155.65 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.16 153.7 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.6 t -118.07 124.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.57 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 15.5 tptp -120.59 154.57 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.4 mm-40 -31.83 -44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.25 19.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.427 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -127.29 146.61 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.5 m -138.77 129.45 26.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 90' ' ' PHE . 95.7 t -138.24 141.99 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.408 ' N ' HG11 ' A' ' 88' ' ' VAL . 10.4 mt -111.86 150.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 89.9 m-85 -138.55 161.94 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.73 150.19 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.2 p -123.47 171.58 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -72.04 -49.47 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.58 152.69 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.99 -26.68 66.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -65.79 -45.02 83.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.03 -51.14 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' NH2' ' HG3' ' A' ' 118' ' ' PRO . 14.3 ttp180 -39.23 -49.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.6 mt -59.3 -46.86 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 13.5 mt -53.91 -30.74 47.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.526 ' CZ3' ' HE2' ' A' ' 42' ' ' MET . 78.1 m95 -85.04 -46.39 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.542 HG12 ' CE1' ' A' ' 65' ' ' TYR . 97.3 t -57.65 -45.73 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -60.32 -46.96 88.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 80.1 mtp -47.93 -33.22 7.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 3.2 t80 -56.41 -47.03 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -75.91 -34.01 59.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.434 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -59.73 -36.52 76.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.3 p -88.33 -38.99 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.38 34.57 44.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.474 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 23.9 pt20 -56.04 177.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -101.06 -21.64 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 70.5 t60 -104.06 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.464 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -70.62 124.3 90.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.24 37.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 8.2 p -121.7 137.36 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.8 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HG3' ' NH2' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.77 151.25 68.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -147.18 121.78 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -124.86 110.28 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.0 p -146.75 145.18 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.47 146.47 18.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -36.96 9.94 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.0 p -79.38 139.34 37.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.1 t -104.79 -57.02 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -88.26 136.82 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -143.19 139.55 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.61 -89.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.6 t -36.57 -41.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.866 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -59.43 -59.31 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.3 -56.72 1.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.9 mtt -79.08 103.65 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -78.22 -41.58 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -160.17 148.94 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 p -147.36 175.2 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.64 146.06 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -51.52 131.1 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 92' ' ' SER . 90.4 mt -143.99 160.25 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.1 m95 -107.93 118.91 37.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.559 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.42 156.79 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.7 tt -148.93 133.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.64 -169.74 12.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -93.88 -39.51 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.96 -24.05 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' CE3' ' A' ' 22' ' ' TRP . 24.0 m -127.85 165.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.497 ' CE3' HG22 ' A' ' 21' ' ' VAL . 4.5 m-90 37.11 29.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' VAL . 69.0 mttt -41.87 -28.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -99.69 136.26 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 75.8 t-105 -77.09 98.79 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -141.26 156.55 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.545 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 5.6 ttpp -88.5 112.06 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -130.76 160.12 35.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.05 125.31 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 15.5 m-85 -116.57 137.35 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.26 122.5 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.57 105.55 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.3 t -93.39 137.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 38.1 tt0 -88.43 95.36 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 t -67.02 -66.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -113.76 -176.94 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -53.62 -47.17 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.89 27.5 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -128.9 138.58 52.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 43.6 m-85 -137.65 168.63 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.12 146.68 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.0 mmt -93.74 104.81 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 119.29 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -101.78 84.92 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.27 139.21 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.49 -41.73 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -134.28 145.07 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -46.34 -50.73 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -95.44 61.46 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.43 177.95 10.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -110.82 152.03 43.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.649 0.738 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.62 -48.19 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 25.8 mp0 -105.4 132.01 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.0 tt -142.09 114.34 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.85 116.82 32.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.06 128.78 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 mt -98.24 37.57 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.6 -21.83 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.4 14.96 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 13.0 m-85 -80.72 142.72 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.441 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.8 m -112.34 95.26 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 p -84.34 128.9 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.21 165.54 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 24.5 m-85 -67.89 141.32 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 170.75 16.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.05 158.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.74 109.12 2.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.54 139.01 97.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 93.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.4 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 152.45 -46.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 HD23 ' CE3' ' A' ' 25' ' ' TRP . 56.3 mt -70.1 108.78 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -124.35 64.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.12 -43.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.42 -172.84 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -95.49 -69.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.95 145.06 26.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 34.1 m-85 -130.41 121.5 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 6.2 p90 -147.46 126.59 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -126.0 154.69 42.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.14 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.0 t -106.7 127.02 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 12.8 tptm -118.45 156.91 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.9 mt-10 -33.59 -49.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.61 11.39 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.51 149.12 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 m -138.71 139.26 38.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 90' ' ' PHE . 70.3 t -144.74 138.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 mt -107.28 152.71 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 66.0 m-85 -142.64 156.24 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.03 31.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.414 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 6.1 t -119.52 -179.97 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 97' ' ' ASP . 0.7 OUTLIER -142.42 162.45 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -64.12 -38.64 91.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -55.74 -41.16 73.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 73.2 m-20 -63.97 -52.45 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.52 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.19 -36.54 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -71.83 -43.22 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.96 -45.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.82 -47.1 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.48 -57.55 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.3 mmm -51.65 -38.84 56.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 10.8 t80 -55.62 -57.62 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -62.28 -39.15 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.59 -40.85 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 46.0 p -79.75 -46.74 16.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.5 34.65 9.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.405 ' HG2' ' CD1' ' A' ' 106' ' ' TYR . 4.1 pt20 -67.22 170.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -101.28 -27.54 13.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -86.06 69.86 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 16.6 tttm -40.86 123.4 1.94 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.408 ' CD ' ' CD1' ' A' ' 106' ' ' TYR . 53.6 Cg_endo -69.74 142.55 48.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 117' ' ' PRO . 99.6 t -115.06 138.91 23.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.77 110.32 2.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.5 53.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.7 p -110.95 104.23 12.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -91.88 96.42 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -133.49 131.44 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.48 170.94 40.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 109.23 2.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.1 p -83.79 166.11 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.9 t 62.86 43.48 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -93.88 131.35 39.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -42.58 156.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.14 112.81 3.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -63.65 -51.17 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -146.24 132.19 19.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.99 6.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.1 mtp -41.83 115.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -114.03 -54.02 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.05 157.02 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -157.5 158.11 35.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 159.41 8.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.65 135.01 54.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.957 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' CE2' ' A' ' 101' ' ' TRP . 34.1 mt -152.75 141.77 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.631 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 7.5 m95 -86.5 118.01 25.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -139.98 149.13 42.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.51 124.23 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.53 177.42 16.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -45.17 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -90.47 -39.91 12.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG2' ' CE3' ' A' ' 22' ' ' TRP . 25.2 m -118.68 155.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.438 ' CE3' ' CG2' ' A' ' 21' ' ' VAL . 4.4 m-90 51.25 38.08 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -47.47 -26.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -101.62 149.88 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.631 ' CZ2' ' CB ' ' A' ' 15' ' ' TRP . 72.8 t-105 -87.3 95.4 9.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 34.6 tptt -140.61 152.63 45.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 16.2 ttmt -89.1 117.74 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.552 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.95 169.56 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.5 126.57 29.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 18.1 m-85 -124.44 125.31 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 32' ' ' LEU . 92.6 t -125.33 135.36 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.201 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 31' ' ' VAL . 57.4 tp -85.72 106.94 17.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.87 137.17 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 41.9 tt0 -95.47 96.18 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.89 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 p -135.16 -175.11 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -46.27 -59.58 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.06 41.31 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.426 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.4 m -142.25 137.32 30.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 23.0 m-85 -142.72 168.19 20.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . . . -151.8 143.62 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.459 ' HE3' ' CZ3' ' A' ' 101' ' ' TRP . 78.8 mmm -92.39 104.17 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.8 m -94.22 128.77 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t -111.13 88.06 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 76.8 m-85 -68.31 116.17 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' TYR . 10.7 ttm105 -36.16 -64.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 48' ' ' LYS . 1.8 pt-20 -130.17 175.98 8.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.55 -39.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -131.94 86.49 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.61 130.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.22 149.27 1.33 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 91.43 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.379 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' C ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -47.22 -61.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 33.6 mp0 -100.07 130.76 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 22.9 tp -131.26 140.45 49.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 23.1 tp -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.74 136.71 53.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.5 mt -98.56 30.51 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.34 80.47 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.96 -34.45 3.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.546 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.8 m-85 -45.42 140.03 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -111.62 95.79 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 64' ' ' ASP . 7.5 p -84.08 138.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.2 m-20 -164.2 167.73 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -69.08 135.49 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -145.13 154.44 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.28 161.58 48.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.8 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -53.37 139.5 47.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.19 -54.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.565 HD21 ' CE3' ' A' ' 25' ' ' TRP . 13.8 mt -68.63 143.27 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -128.54 -54.8 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.56 134.99 3.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -85.67 -53.97 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -78.54 144.56 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.1 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.0 p90 -149.39 127.15 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.413 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 56.1 p30 -125.22 168.31 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.82 149.33 40.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.1 t -109.61 128.27 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.546 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 12.7 tptm -128.59 156.36 43.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.6 mt-10 -33.66 -58.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.7 21.18 3.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.02 146.45 50.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.4 m -138.59 129.64 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 90' ' ' PHE . 44.4 t -140.19 131.74 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 80' ' ' ASN . 13.0 mt -103.35 156.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.554 ' CZ ' HG11 ' A' ' 88' ' ' VAL . 91.3 m-85 -142.45 154.64 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.93 146.63 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 76.4 p -118.57 172.77 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.51 -49.25 50.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -119.49 148.05 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -50.49 -44.66 55.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -50.11 -56.45 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.05 -53.15 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 50.4 ttp180 -43.87 -64.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' ARG . 50.7 mt -36.79 -62.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.1 mt -44.94 -45.93 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.503 ' CE2' HD12 ' A' ' 14' ' ' LEU . 71.5 m95 -65.16 -50.17 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.26 -40.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -63.33 -44.14 95.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.31 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 81.6 mtp -47.68 -37.56 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -51.72 -48.36 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -75.89 -40.94 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.49 -38.16 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 60.1 p -75.85 -51.05 13.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.65 31.22 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.59 -176.35 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -128.45 12.74 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 114' ' ' LYS . 60.2 m-70 -106.26 60.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 113' ' ' HIS . 6.5 mtpm? -33.89 97.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 113' ' ' HIS . 53.9 Cg_endo -69.77 143.72 51.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.3 p -128.21 133.0 24.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.176 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 118' ' ' PRO . 53.6 Cg_endo -69.76 110.3 2.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.9 Cg_endo -69.76 179.02 3.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.1 p -121.27 103.77 9.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.29 145.51 35.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.2 m -134.94 102.87 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -101.37 146.19 17.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.48 37.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.3 p -48.63 137.76 11.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.4 m 41.37 42.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.7 t -108.31 139.87 42.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 12.6 p 37.13 43.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.45 126.74 10.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -142.26 142.2 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -85.69 83.54 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 9' ' ' LYS . . . -140.38 -86.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' GLY . 37.5 mtp 36.64 29.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 7' ' ' GLY . 28.3 mmtm -38.42 -62.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 3.2 m-70 -111.65 166.89 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.3 p -174.96 127.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.61 157.05 9.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -61.58 133.04 55.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.985 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -151.07 162.25 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -109.22 116.77 32.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -134.38 155.24 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.3 129.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.47 -171.73 13.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.61 -41.67 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -97.69 -38.69 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 54' ' ' GLU . 16.6 m -113.98 158.48 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.475 ' CZ2' ' CE2' ' A' ' 30' ' ' PHE . 4.2 m-90 46.77 33.27 2.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -39.26 -29.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -104.24 163.37 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 66.4 t-105 -103.94 101.97 11.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -146.73 157.36 43.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.8 ttpp -76.19 113.66 13.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 28' ' ' ARG . 15.5 ttm105 -131.47 167.56 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -82.53 116.08 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CE2' ' CZ2' ' A' ' 22' ' ' TRP . 40.4 m-85 -112.49 136.06 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.26 129.81 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -84.36 103.08 13.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -95.64 136.28 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.0 tt0 -89.75 101.03 13.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.92 -62.08 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -118.09 175.34 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -50.18 -41.28 49.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.9 33.38 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 m -139.19 133.05 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 15.3 m-85 -134.06 169.95 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.98 144.09 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.517 ' HE1' ' CZ3' ' A' ' 101' ' ' TRP . 82.0 mmm -91.96 101.06 13.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.7 m -90.95 139.32 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -110.91 101.19 9.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.82 134.57 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.82 -36.54 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -127.03 178.19 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -48.47 -69.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -115.31 78.84 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.02 147.7 49.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -55.03 145.84 41.99 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 94.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -40.37 -49.72 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.468 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 12.5 mp0 -123.9 132.07 53.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 tt -134.44 113.27 11.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.84 120.65 42.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -81.43 126.21 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 9.1 mt -97.84 40.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.72 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.38 4.51 62.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-85 -60.65 146.33 45.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.0 m -124.62 96.97 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -83.82 141.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -168.4 148.48 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 12.7 m-85 -49.85 139.24 13.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 t -145.46 160.66 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.5 156.64 91.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.77 98.44 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.46 138.41 49.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 93.35 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.69 -54.81 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 25' ' ' TRP . 17.4 mt -61.39 129.18 39.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.23 68.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.427 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -169.73 91.32 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.7 155.98 9.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -93.32 -51.48 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -73.74 147.16 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 68' ' ' PRO . 30.4 m-85 -131.45 127.98 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 7.3 p90 -153.89 126.65 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -123.1 160.69 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.21 155.48 21.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.6 t -118.09 125.82 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 21.1 tptm -125.68 156.83 38.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.8 mt-10 -33.67 -60.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.58 20.14 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.93 146.69 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 m -138.88 132.97 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.498 HG13 ' CE1' ' A' ' 90' ' ' PHE . 63.2 t -141.24 139.48 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 90' ' ' PHE . 9.4 mt -110.73 147.24 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 23.3 m-85 -134.81 163.76 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.07 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -140.56 162.97 34.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -81.02 -39.2 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.12 136.44 53.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.05 -32.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -49.13 77.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.472 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 44.5 ttp180 -43.96 -58.51 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mt -46.39 -59.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.84 -48.07 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 65.4 m95 -63.26 -47.25 83.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.423 HG13 ' CE1' ' A' ' 65' ' ' TYR . 50.4 t -57.31 -35.07 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.32 -43.08 71.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 -60.46 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 80.6 mtp -50.32 -34.44 23.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.13 -56.59 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.6 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -56.86 -44.19 81.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 71.1 p -80.63 -44.74 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.4 24.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -50.61 -178.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -94.66 -38.92 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -83.95 -178.16 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -135.27 122.86 15.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.84 33.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 6.6 p -119.5 138.36 26.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.5 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 173.22 11.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t -148.36 111.18 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -68.89 124.34 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.3 t -88.27 82.35 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -120.91 83.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -52.08 133.65 33.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 86.8 p -45.18 138.19 4.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -149.86 132.89 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m -140.03 137.14 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.92 161.47 26.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -173.25 138.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 m -54.38 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.16 78.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -101.2 143.95 30.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -109.73 -65.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.471 ' CD2' ' H ' ' A' ' 11' ' ' SER . 3.0 t60 -126.05 169.19 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.471 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 59.7 p -160.91 154.9 22.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.37 156.75 7.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.24 137.11 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.962 0.41 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.9 mt -152.6 160.18 43.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.554 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -108.34 117.67 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.552 ' HB3' ' CD2' ' A' ' 90' ' ' PHE . . . -140.66 156.48 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.068 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.2 tt -148.72 128.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.12 -164.41 12.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -96.91 -44.69 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.01 -35.79 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 m -119.76 162.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.493 ' CD1' ' OE1' ' A' ' 54' ' ' GLU . 4.8 m-90 44.59 31.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -42.3 -24.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' TRP . 55.7 mtm-85 -104.86 143.99 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.554 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.8 t-105 -84.16 84.71 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -128.34 157.28 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 21.2 ttpp -87.85 117.85 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -134.52 160.94 36.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.32 104.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -99.74 135.38 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 32' ' ' LEU . 93.6 t -138.28 143.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' HG11 ' A' ' 31' ' ' VAL . 50.1 tp -98.36 114.89 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.65 141.37 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 18.5 tt0 -96.13 106.88 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 -57.11 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -120.44 166.35 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -40.95 -46.32 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m-85 -122.63 39.51 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -142.75 132.29 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 14.7 m-85 -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.79 148.96 29.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.4 mmm -95.01 104.42 16.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 95.6 m -93.84 123.03 36.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 m -107.03 111.34 23.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 43' ' ' CYS . 3.9 m-85 -106.44 159.32 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -119.7 -43.55 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.69 167.92 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -62.29 -50.99 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 91.36 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -168.85 147.41 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 149.99 97.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 116.5 4.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.42 -48.39 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' OE1' ' CD1' ' A' ' 22' ' ' TRP . 14.9 mt-10 -110.42 149.47 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 56' ' ' LEU . 8.0 tp -153.04 135.99 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 55' ' ' LEU . 17.0 tp -129.5 110.28 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.47 117.25 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.3 mt -92.16 37.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -65.24 -28.85 69.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.56 -22.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.6 m-85 -45.61 142.06 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.46 HG22 ' CB ' ' A' ' 111' ' ' GLN . 25.9 m -120.86 96.51 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 p -82.82 149.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -173.38 176.42 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 45.7 m-85 -79.84 136.35 36.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -149.37 153.79 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 156.63 9.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.3 Cg_endo -69.68 111.07 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.79 122.29 70.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 73' ' ' GLU . . . 168.8 -47.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 44.2 mt -66.24 140.66 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 14.9 mp0 -126.0 97.34 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.4 102.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.73 158.09 23.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -96.88 -62.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.87 147.2 43.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 52.1 m-85 -131.38 117.96 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -141.53 121.27 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -118.16 165.06 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.14 149.69 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.39 128.87 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.1 tptm -124.76 155.38 39.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.6 mm-40 -34.46 -52.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.65 17.44 3.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.35 149.37 49.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.403 ' C ' HG22 ' A' ' 88' ' ' VAL . 29.3 m -138.56 134.41 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.403 HG22 ' C ' ' A' ' 87' ' ' THR . 95.5 t -144.02 139.73 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.83 153.37 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 25.6 m-85 -138.46 159.59 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.45 151.47 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.9 p -121.17 174.73 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.77 -23.81 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -151.98 162.87 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.58 -14.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -87.25 -49.16 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.451 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 7.2 ptt180 -54.63 -25.84 29.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.46 -51.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.79 -43.62 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -72.63 -36.35 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 98' ' ' ARG . 45.6 t -68.99 -32.92 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.19 -40.27 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.32 -49.75 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 96.9 mtp -59.26 -29.69 67.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -62.98 -56.86 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -64.19 -35.55 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.17 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.4 p -76.04 -47.34 25.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.55 33.61 8.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.46 ' CB ' HG22 ' A' ' 62' ' ' THR . 4.6 pt20 -60.58 166.23 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.2 t -84.21 -41.44 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -91.39 112.87 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 20.1 ttmt -74.4 134.81 76.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 148.3 65.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.6 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 87.9 t -134.01 138.7 31.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 111.174 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.76 129.67 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 168.83 20.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p 41.69 48.46 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -74.07 101.26 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.3 t -65.88 135.84 55.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.38 -71.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 t -48.61 100.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -67.57 -54.7 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -99.44 174.27 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -110.01 -48.62 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.08 -131.72 2.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -119.17 -54.23 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -103.71 134.08 47.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.29 -68.17 0.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.9 ttm -45.77 157.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -128.33 -50.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -141.16 160.19 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -156.23 141.89 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.13 152.76 6.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.67 132.45 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 101' ' ' TRP . 41.9 mt -145.72 166.9 24.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.536 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -109.69 116.42 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -134.39 151.39 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -145.52 119.03 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.88 12.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -100.59 -44.77 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.34 -26.47 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.3 m -127.26 162.46 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.502 ' CZ3' ' HB2' ' A' ' 56' ' ' LEU . 4.9 m-90 44.2 27.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -41.0 -27.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -101.75 135.53 43.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.536 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 70.0 t-105 -79.04 100.79 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 28.8 tttm -146.21 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 43.4 tttm -78.46 106.46 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -124.07 162.34 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 22.2 t80 -70.28 120.0 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 m-85 -114.93 132.79 56.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 88.9 t -140.03 123.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -80.98 123.03 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.18 155.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 40' ' ' PHE . 60.1 tt0 -102.23 98.69 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 t -67.88 -64.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -118.49 170.04 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -42.68 -42.5 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -126.85 36.87 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.09 132.15 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 34' ' ' GLN . 13.7 m-85 -132.72 161.92 32.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -147.67 149.64 32.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmm -93.13 101.15 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.8 m -91.19 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.2 p -110.92 103.33 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -94.45 115.82 28.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -87.63 -72.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.77 173.07 11.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -78.7 -26.93 44.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -133.03 88.26 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.56 175.97 8.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.29 146.58 32.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 105.83 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -73.22 -70.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' CD ' ' CD1' ' A' ' 22' ' ' TRP . 9.4 mt-10 -67.96 101.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' A' ' 41' ' ' ALA . 3.7 tt -116.96 129.64 56.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 18.1 tp -120.41 110.98 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.48 115.53 20.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 22.4 mt -82.73 37.48 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -49.27 -48.47 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.51 16.14 3.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 7.4 m-85 -71.21 104.64 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.979 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -78.34 95.75 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 p -85.07 134.52 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.06 164.68 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -62.91 142.13 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -151.6 150.79 30.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.37 152.51 8.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.0 Cg_endo -69.73 103.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -49.1 139.28 12.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.44 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.45 -59.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.6 mt -54.34 116.19 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.31 38.46 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . -122.43 74.91 0.37 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.82 166.28 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -96.35 -51.63 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB2' ' NE ' ' A' ' 98' ' ' ARG . . . -74.57 143.86 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 87.4 m-85 -130.99 116.6 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.7 p90 -136.82 122.88 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 57.2 p30 -118.72 164.3 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.64 146.09 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -106.21 129.65 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 14.7 tptp -128.09 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 53.1 mm-40 -34.37 -53.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.63 19.23 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.96 148.46 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 m -138.74 128.9 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.501 HG13 ' CZ ' ' A' ' 90' ' ' PHE . 95.3 t -134.72 138.05 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 90' ' ' PHE . 16.7 mt -114.07 143.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.566 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 53.0 m-85 -129.16 164.29 23.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.52 162.13 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -136.75 165.89 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.28 -41.67 18.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.86 129.39 54.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -45.24 -42.05 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.54 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -52.47 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.464 ' NE ' ' HB2' ' A' ' 77' ' ' ALA . 18.1 ttp180 -41.51 -66.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ARG . 53.1 mt -37.46 -53.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.49 -41.92 63.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 83.2 m95 -70.14 -42.6 72.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.434 ' CG1' ' CB ' ' A' ' 115' ' ' PRO . 58.8 t -64.88 -35.83 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -69.47 -43.13 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.41 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 93.2 mtp -48.98 -33.69 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.8 t80 -57.95 -48.5 79.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -70.56 -38.83 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.512 ' HB2' ' CG ' ' A' ' 40' ' ' PHE . . . -54.98 -40.28 69.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 61' ' ' TYR . 63.9 p -84.74 -45.68 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.08 10.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.59 178.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -100.12 -34.43 10.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -94.9 90.6 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.566 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 35.4 tttt -53.58 139.36 49.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 114' ' ' LYS . 53.9 Cg_endo -69.75 134.74 28.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.33 125.22 28.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 130.03 18.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.45 2.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 p -115.1 37.76 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -115.38 128.73 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m -121.64 148.31 44.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -45.5 139.54 5.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.541 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 105.45 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.2 t -47.68 -53.57 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 m -132.91 172.3 12.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -116.46 -46.92 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -80.42 -59.62 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.8 -123.09 7.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -145.15 149.16 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -102.26 141.37 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.05 61.56 0.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mtt -78.92 104.83 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -87.8 -42.23 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -145.78 150.12 35.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -148.6 168.36 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.54 159.26 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.48 137.71 56.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.4 mt -147.07 163.71 35.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 1.7 m95 -108.69 116.84 32.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -142.51 155.45 45.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 tt -151.08 132.37 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.28 -160.28 10.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -104.66 -33.57 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -97.83 -37.73 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.501 HG21 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -127.51 162.51 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.501 ' CE3' HG21 ' A' ' 21' ' ' VAL . 4.6 m-90 50.37 33.14 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -46.74 -28.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -95.48 134.0 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -81.93 88.62 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -141.05 155.55 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 18.1 ttpp -75.06 122.82 24.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -134.75 156.63 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.54 109.52 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -104.53 142.85 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -143.21 123.27 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -82.24 103.73 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -97.07 156.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 58.7 tt0 -103.63 113.29 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -86.09 -62.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 m -117.7 175.96 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -44.88 -49.74 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -122.29 36.46 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 m -137.66 142.43 41.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 108' ' ' ALA . 31.6 m-85 -141.61 173.84 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.78 146.81 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.487 ' HE2' ' CZ3' ' A' ' 101' ' ' TRP . 20.3 mmm -93.28 101.11 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 29.0 m -92.13 120.46 32.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 p -93.52 58.33 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 86.7 m-85 -40.72 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -50.5 -21.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -168.46 167.13 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -60.54 -11.81 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -122.66 -52.09 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.56 130.08 27.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -64.7 144.4 98.8 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.645 0.736 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 96.62 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.73 -68.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -72.16 120.18 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 tt -133.61 129.58 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD12 ' CE2' ' A' ' 61' ' ' TYR . 18.5 tp -120.06 110.32 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.49 121.46 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 mt -91.28 34.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.29 -22.72 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.94 -26.19 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 14.6 m-85 -48.16 147.27 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.49 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 90.7 m -124.07 100.0 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.86 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -72.14 130.47 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 80' ' ' ASN . 9.9 t -138.28 175.06 9.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.5 154.08 78.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.2 Cg_endo -69.7 107.77 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -56.34 137.19 75.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 99.21 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.68 -60.73 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -60.01 133.68 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 38.3 mt-10 -118.67 -64.32 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.59 101.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.4 131.4 4.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -80.02 -49.71 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -78.04 148.15 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 68.8 m-85 -128.18 116.29 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.495 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -143.91 128.45 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 66' ' ' THR . 29.3 p30 -126.13 163.13 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.9 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -107.29 123.4 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 18.1 tptt -120.2 154.33 35.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' LYS . 15.1 mt-10 -34.51 -53.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.97 16.51 3.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -125.84 150.6 47.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.0 m -138.61 134.34 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.4 t -141.68 128.42 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.9 mt -99.36 149.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.495 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 66.9 m-85 -138.46 156.49 47.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.21 165.61 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.5 p -137.57 164.08 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.12 -31.42 61.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -130.13 160.54 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.44 -46.82 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.99 -31.28 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -47.48 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 46.3 ttp180 -49.65 -59.49 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.5 mt -48.17 -40.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.0 -44.49 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.487 ' CZ3' ' HE2' ' A' ' 42' ' ' MET . 64.2 m95 -68.82 -34.08 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.57 -35.05 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -74.6 -35.54 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.51 -52.28 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.2 mtp -58.95 -34.41 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.8 t80 -57.73 -55.81 30.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -61.64 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.566 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . . . -67.36 -40.4 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.0 p -84.13 -35.72 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.49 74.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.49 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 4.1 pt20 -48.07 165.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.0 t -83.43 -41.07 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -78.51 120.52 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 31.7 tttt -90.07 121.84 68.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.74 33.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.474 ' CG2' ' HD2' ' A' ' 117' ' ' PRO . 4.6 p -126.0 138.78 32.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 53.8 Cg_endo -69.77 110.35 2.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 176.28 6.99 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 119' ' ' THR . 13.7 t -117.3 67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -61.73 106.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' GLY . 2.8 m -103.55 96.66 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 121' ' ' SER . . . 33.96 -96.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' SER . 53.9 Cg_endo -69.7 146.16 59.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -113.98 109.81 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 t -63.47 144.25 57.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -159.05 132.87 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -87.31 -46.8 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.96 135.3 7.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.433 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -109.71 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -41.58 116.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.97 56.82 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.9 ttm -38.43 130.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.324 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -117.17 -53.03 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -132.32 153.4 50.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 p -150.46 165.7 32.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 167.25 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -80.68 137.01 36.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 92' ' ' SER . 87.2 mt -151.96 164.52 36.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CZ2' ' HE3' ' A' ' 27' ' ' LYS . 1.5 m95 -109.14 118.03 35.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.75 148.0 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.089 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tt -143.3 119.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -166.64 14.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -94.67 -47.61 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -89.92 -36.16 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.502 HG21 ' CE3' ' A' ' 22' ' ' TRP . 18.1 m -118.44 163.01 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.502 ' CE3' HG21 ' A' ' 21' ' ' VAL . 5.1 m0 45.2 38.64 3.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.97 -20.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.96 146.7 34.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 69.8 t-105 -85.51 94.19 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -138.39 155.05 48.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 5.3 ttmt -90.6 118.62 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' HD2' ' CD1' ' A' ' 22' ' ' TRP . 12.5 ptp180 -132.76 172.56 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -74.75 104.82 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -98.5 130.09 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -129.67 128.9 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.52 113.79 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.44 147.19 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 51.3 tt0 -103.18 106.27 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.73 -49.73 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -128.8 176.42 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 16.8 mt-30 -53.25 -35.87 60.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -130.24 30.32 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -133.77 134.47 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 16.6 m-85 -137.61 164.79 27.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.84 142.76 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.3 mmm -92.53 101.25 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 3.3 m -89.9 122.72 33.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -98.15 80.01 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 91.7 m-85 -67.43 104.34 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -96.37 -64.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -51.74 156.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 49' ' ' LYS . 11.0 ptmt -66.48 -53.88 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 48' ' ' LYS . 11.8 mmtp -134.01 84.11 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -173.66 171.51 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.49 151.91 91.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.79 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.286 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.24 -50.36 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 145.91 29.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tt -155.89 129.71 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 tp -114.67 135.47 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -99.3 119.13 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt -90.02 35.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -61.71 -28.57 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.1 -27.78 0.56 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.6 m-85 -38.24 142.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.402 ' HB ' ' CG1' ' A' ' 82' ' ' VAL . 91.2 m -121.13 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.1 p -83.12 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -174.0 150.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 19.1 m-85 -53.87 133.66 42.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 161.6 38.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.92 160.79 72.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.67 126.71 13.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -82.86 140.85 43.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -53.0 0.81 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.45 HD12 ' CZ3' ' A' ' 25' ' ' TRP . 9.6 mt -74.4 128.75 36.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 74' ' ' GLY . 1.7 tm-20 -115.43 -60.55 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.46 114.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.544 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.62 143.18 14.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.67 -63.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -58.22 148.2 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 36.5 m-85 -130.26 114.53 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.502 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 2.2 p90 -142.35 131.98 23.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.42 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 42.1 p30 -134.57 161.01 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 152.03 28.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.402 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 7.7 p -114.56 127.19 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.512 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 11.0 tptm -123.54 156.14 36.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 45.2 mm-40 -34.21 -56.77 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.04 14.06 4.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.77 144.13 50.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 53.1 m -138.01 132.29 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.5 t -138.88 139.79 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 90' ' ' PHE . 44.2 mt -108.6 157.02 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 91.6 m-85 -144.94 154.79 42.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.16 154.01 39.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.412 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.2 t -123.4 178.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.6 -40.32 25.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 156.16 28.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.47 -55.26 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 4.5 tm0? -56.29 -31.61 63.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.45 -10.38 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 42.8 ttp180 -78.97 -43.46 24.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 96' ' ' GLN . 5.1 mp -57.17 -37.94 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -62.43 -49.08 76.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -70.18 -34.5 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.5 -54.5 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.9 mmm -54.4 -37.24 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.4 t80 -56.05 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -62.11 -33.09 73.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -56.49 -39.72 73.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.2 p -84.54 -45.06 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.21 17.42 46.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -47.14 172.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.8 p -97.53 -35.27 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -85.89 103.13 14.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.507 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -70.4 121.43 83.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 153.95 68.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 85.1 t -129.92 138.72 33.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.076 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.1 Cg_endo -69.78 123.13 9.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.92 3.25 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.2 p -134.29 92.92 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -108.88 109.72 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.6 t -121.66 40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.05 -162.33 24.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.98 6.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.3 t -134.55 125.48 27.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.4 t -66.41 -45.42 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 m -117.8 -25.16 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 68.5 m 37.23 51.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.34 119.78 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -53.74 159.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -113.4 128.14 56.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.37 55.95 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 ttp -46.23 156.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -130.08 -62.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -128.42 156.35 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -147.43 153.44 39.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.29 149.43 5.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -60.99 140.23 57.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' CZ2' ' A' ' 101' ' ' TRP . 28.8 mt -153.15 155.76 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 5.1 m95 -98.74 116.78 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.22 154.72 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -153.82 121.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -176.51 18.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -88.03 -34.38 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -99.53 -38.58 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.431 HG22 ' CE3' ' A' ' 22' ' ' TRP . 17.9 m -122.83 160.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CE3' HG22 ' A' ' 21' ' ' VAL . 5.0 m-90 52.35 28.68 5.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -39.54 -30.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -94.14 159.02 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ2' ' CB ' ' A' ' 15' ' ' TRP . 70.2 t-105 -106.69 99.41 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -146.03 155.26 42.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 7.4 ttpm? -76.14 97.33 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -113.43 149.38 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.68 119.68 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.0 m-85 -115.35 138.64 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.79 123.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.8 tp -80.39 119.7 23.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.99 150.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.6 tt0 -103.66 111.91 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 t -85.11 -52.46 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -128.23 173.56 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -49.13 -39.35 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE1' ' OE1' ' A' ' 37' ' ' GLN . 2.9 m-85 -126.42 30.8 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.1 m -133.76 142.04 47.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 108' ' ' ALA . 21.8 m-85 -146.29 162.1 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.15 146.82 32.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.5 mmm -92.61 101.81 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.3 m -103.58 121.96 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -102.52 127.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -116.08 91.22 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -61.6 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.32 167.65 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -60.82 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -145.8 105.29 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.77 179.65 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.2 145.96 73.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.97 22.35 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -67.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.06 143.87 31.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 tt -141.42 119.91 12.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -114.87 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -86.22 122.23 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 mt -93.37 37.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -70.76 -21.31 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.03 1.87 3.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 12.3 m-85 -75.68 148.04 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 111' ' ' GLN . 29.6 m -124.2 97.96 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.06 143.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.82 143.38 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.471 ' CE1' HG11 ' A' ' 102' ' ' VAL . 26.3 m-85 -47.89 134.52 13.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -145.33 156.94 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 5.0 p-10 -56.37 156.46 11.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.72 102.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -40.03 136.71 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.641 2.228 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.18 -58.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 25' ' ' TRP . 72.4 mt -51.25 101.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.36 46.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.53 -58.23 0.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.06 -170.7 14.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.584 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 7.8 mmm180 -93.52 -71.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.19 141.45 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 76' ' ' ARG . 97.2 m-85 -131.41 116.3 17.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -127.65 122.66 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -115.06 153.26 31.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.44 152.4 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.0 123.76 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.7 tptm -115.8 156.37 26.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 83' ' ' LYS . 6.0 mm-40 -34.3 -45.65 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.29 13.44 1.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 153.33 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.411 ' C ' HG22 ' A' ' 88' ' ' VAL . 10.5 m -136.69 136.69 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 90' ' ' PHE . 61.2 t -142.0 140.64 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.2 mt -112.6 150.15 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 66.9 m-85 -139.67 162.76 34.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.83 174.86 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 p -147.7 170.24 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -29.81 53.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 1.2 p-10 -142.05 142.82 32.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -47.56 -42.09 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -50.22 -49.15 53.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -51.84 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -40.89 -42.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.8 mt -57.93 -44.37 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.1 mt -66.05 -34.67 78.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.424 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 87.9 m95 -75.14 -37.42 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG11 ' CE1' ' A' ' 65' ' ' TYR . 85.6 t -70.08 -39.25 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.48 -41.19 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.64 -55.8 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 94.7 mtp -54.79 -28.16 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.508 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -63.84 -58.87 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -59.8 -34.37 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.559 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . . . -56.45 -45.98 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.1 p -79.65 -43.8 22.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.97 35.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.411 ' CD ' HG21 ' A' ' 62' ' ' THR . 3.5 pt20 -48.28 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -93.04 -40.79 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -91.97 99.91 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 64.2 tttt -61.44 137.23 94.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 155.84 64.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.2 t -139.53 133.64 15.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 110.33 2.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 164.94 32.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.9 p -142.45 122.87 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.86 122.74 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -170.5 141.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -155.14 -179.98 30.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 85.87 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -82.01 158.35 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.7 t -67.56 134.35 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -149.91 166.6 29.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -130.54 140.23 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.23 166.18 24.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -126.49 44.33 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.2 m -99.22 132.69 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 80.95 1.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.2 mtp -118.12 105.75 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 2.8 mptt -87.44 -49.67 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -137.2 162.81 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.0 p -162.8 169.11 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.97 149.76 5.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -60.51 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.945 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 101' ' ' TRP . 36.2 mt -138.85 153.51 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.2 m95 -99.0 117.6 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.14 151.98 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.9 tt -151.35 123.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.02 -168.96 13.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -92.43 -35.37 13.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.3 -38.59 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.9 m -118.8 162.99 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ARG . 4.8 m-90 46.83 30.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -39.57 -27.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.0 tpm_? -101.05 151.68 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.478 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.9 t-105 -94.66 89.94 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 5.5 tppt? -134.09 155.07 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 19.4 tttt -81.86 103.18 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -113.67 164.5 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -80.05 97.94 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' ' CZ2' ' A' ' 22' ' ' TRP . 26.2 m-85 -91.69 135.59 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.9 t -134.04 130.37 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.8 tp -79.42 120.06 23.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.0 t -116.22 146.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 48.7 tt0 -98.91 102.29 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -70.58 -58.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 -175.77 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -55.74 -38.07 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.71 35.36 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.5 m -139.28 142.64 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 28.0 m-85 -142.94 165.64 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . . . -151.86 144.98 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 75.1 mmm -92.64 101.12 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.3 m -92.88 130.45 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.7 p -111.23 111.98 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -103.06 140.75 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -117.77 -63.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.33 147.07 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -47.89 -38.06 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 10.9 mmmt -151.22 107.7 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.35 -178.14 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.88 143.82 35.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.686 0.755 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 122.51 9.18 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -74.95 -75.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -76.5 128.52 34.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 4.7 tt -140.5 115.43 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 13.3 tp -107.71 120.8 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -87.91 121.61 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 18.3 mt -86.54 34.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.57 -58.53 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -115.85 -22.26 4.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.542 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 28.0 m-85 -34.97 143.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.455 ' HB ' ' CG1' ' A' ' 82' ' ' VAL . 13.1 m -124.75 100.03 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.6 p -82.91 137.98 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -164.96 151.84 10.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -53.86 135.8 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 t -145.04 171.2 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.46 159.32 77.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.562 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 121.23 7.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -66.62 142.16 97.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.95 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.92 -58.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.69 118.71 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.53 40.38 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.06 100.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.5 163.76 24.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -96.71 -49.64 5.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.11 143.06 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 47.4 m-85 -127.15 109.87 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -130.57 122.36 27.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -123.55 157.3 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.14 152.06 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.455 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 6.0 p -114.77 127.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.3 tptm -117.99 157.01 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' LYS . 63.5 mm-40 -33.43 -52.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.05 15.6 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.78 150.32 49.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -138.69 128.7 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.3 t -134.14 139.31 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 90' ' ' PHE . 11.2 mt -110.03 150.39 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.452 ' N ' HG21 ' A' ' 89' ' ' ILE . 53.9 m-85 -139.78 157.27 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.433 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -147.19 160.18 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.7 p -133.37 161.09 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.43 -34.21 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -117.92 147.87 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -60.92 -52.7 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -47.33 -45.81 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.42 -54.45 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -42.04 -58.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.3 mt -49.5 -52.64 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 38.5 mt -51.52 -49.69 61.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.505 ' CE2' HD11 ' A' ' 14' ' ' LEU . 77.6 m95 -65.26 -36.51 84.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.76 -34.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -72.2 -40.76 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.11 -53.76 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 94.5 mtp -56.73 -32.82 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.6 t80 -59.54 -60.91 3.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -60.78 -32.8 72.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.68 83.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 16.0 p -78.95 -43.56 24.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.09 31.68 22.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -54.77 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -101.66 -38.0 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -92.78 109.38 20.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.8 tttt -70.35 131.52 88.39 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.05 46.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.388 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.3 t -129.45 133.41 25.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.0 7.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -179.66 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.3 p -95.96 88.36 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -92.39 80.94 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 m -105.98 122.52 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -58.39 179.12 1.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -125.97 -47.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 m -118.18 -48.73 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -134.82 163.01 30.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -113.32 -48.17 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.92 -76.01 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -113.57 143.76 44.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.795 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -109.63 -49.64 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.61 115.48 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtt -124.79 138.85 54.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -123.2 -52.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 101' ' ' TRP . 23.7 m-70 -139.92 131.89 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -138.9 144.86 39.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.78 165.3 14.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.426 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.56 136.25 56.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -153.14 144.42 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 27' ' ' LYS . 7.1 m95 -91.67 116.36 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.51 154.67 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 tt -150.14 129.73 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.53 -177.85 15.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -87.15 -44.09 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -94.28 -32.08 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.561 HG22 ' CE3' ' A' ' 22' ' ' TRP . 12.0 m -127.12 154.05 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.561 ' CE3' HG22 ' A' ' 21' ' ' VAL . 4.8 m-90 55.6 31.87 18.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -45.87 -27.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -98.49 142.59 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.437 ' CZ2' ' CB ' ' A' ' 15' ' ' TRP . 71.0 t-105 -88.74 95.41 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -140.85 156.9 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 16.3 ttmt -83.86 117.13 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -134.92 157.2 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.67 120.26 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -113.09 138.92 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.61 133.53 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.29 105.18 17.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG2' ' SG ' ' A' ' 43' ' ' CYS . 60.6 t -101.44 135.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 36.4 tt0 -91.68 95.43 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -65.06 -61.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -116.26 168.15 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -50.68 -29.23 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -133.21 25.71 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -137.42 132.37 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 12.5 m-85 -129.97 169.1 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -150.79 145.35 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mmm -92.04 103.27 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' CG2' ' A' ' 33' ' ' VAL . 1.9 m -95.54 117.26 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -98.46 129.88 45.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.01 120.24 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -90.46 -43.34 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -83.49 173.21 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -53.19 -49.88 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -161.67 105.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -163.88 160.48 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -47.68 142.99 6.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 136.57 33.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -92.09 -30.04 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -127.66 110.28 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD22 ' CB ' ' A' ' 41' ' ' ALA . 8.6 tt -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.4 tp -119.77 110.73 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.36 122.63 24.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.8 mt -91.48 37.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.66 -32.2 69.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' C ' ' HD2' ' A' ' 83' ' ' LYS . . . -128.42 14.54 6.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -89.86 144.06 26.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.452 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 97.5 m -121.28 96.34 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.82 143.96 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -168.47 169.92 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' ' C ' ' A' ' 116' ' ' VAL . 10.1 m-85 -73.62 134.76 43.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -147.19 154.54 41.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.9 159.54 19.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.78 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -63.13 142.76 97.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.76 2.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -65.75 0.59 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.8 mt -51.18 111.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.299 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -109.24 37.68 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.66 125.27 5.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.34 160.09 18.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -93.7 -49.65 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 98' ' ' ARG . . . -74.21 148.77 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 38.5 m-85 -131.45 111.48 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -135.6 119.96 17.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -117.94 159.7 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.75 144.83 43.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.1 t -105.95 134.09 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 18.8 tptm -126.18 153.83 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 23.7 mt-10 -34.0 -49.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.25 16.77 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.07 152.36 47.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.417 ' C ' HG23 ' A' ' 88' ' ' VAL . 21.5 m -138.69 132.02 30.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.173 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 87' ' ' THR . 61.9 t -139.53 139.03 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 90' ' ' PHE . 20.4 mt -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.505 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 88.0 m-85 -140.84 159.32 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.61 159.41 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -130.67 174.88 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -31.0 56.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -145.98 154.09 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.16 -51.28 67.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -46.38 -23.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.59 -39.3 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.427 ' HB2' ' CB ' ' A' ' 77' ' ' ALA . 31.1 ttp180 -53.23 -43.55 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mt -53.65 -55.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.0 mt -49.04 -38.95 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.569 ' CZ2' ' HB3' ' A' ' 10' ' ' HIS . 55.4 m95 -72.52 -47.74 46.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 49.7 t -55.07 -50.6 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -53.05 -49.08 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.46 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.2 mtp -46.2 -27.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -67.79 -60.72 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -59.56 -38.55 81.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.99 -51.89 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 p -75.1 -46.32 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.53 26.08 21.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.452 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 3.4 pt20 -52.71 176.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.9 m -101.47 -38.27 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -81.18 89.86 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 7.0 ttpt -56.86 126.89 73.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 136.05 31.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.742 2.294 . . . . 0.0 112.296 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.489 ' C ' ' CE2' ' A' ' 65' ' ' TYR . 93.2 t -121.62 123.62 27.45 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 126.39 13.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.96 40.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.1 p 45.02 45.87 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -44.73 141.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 t -49.3 -61.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -147.22 152.27 24.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.2 p 54.54 25.76 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 t -43.97 -35.38 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -95.02 134.45 37.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -59.39 142.63 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.64 48.26 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -119.72 127.37 52.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -46.4 123.38 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.57 -62.51 2.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.5 mtp -69.73 134.99 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -105.0 -48.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -159.7 131.37 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.6 p -126.79 151.79 47.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.8 152.36 6.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -62.52 122.39 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.389 . . . . 0.0 110.952 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.1 mt -139.22 159.43 42.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.505 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 3.0 m95 -104.27 122.14 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.543 ' HB1' ' CD2' ' A' ' 90' ' ' PHE . . . -141.45 148.56 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 tt -148.63 123.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.16 -161.24 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -99.52 -44.48 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.56 -40.88 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG22 ' CE3' ' A' ' 22' ' ' TRP . 17.5 m -120.92 160.88 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.483 ' CE3' HG22 ' A' ' 21' ' ' VAL . 4.8 m-90 50.19 31.37 5.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.54 -27.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -100.83 150.44 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.529 ' CE3' HD22 ' A' ' 72' ' ' LEU . 74.9 t-105 -88.57 86.4 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -126.83 156.51 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 15' ' ' TRP . 30.7 ttpt -99.16 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 18.2 ptp180 -133.26 168.82 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.51 115.84 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 42.9 m-85 -111.46 125.4 53.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 43' ' ' CYS . 93.4 t -119.62 133.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.8 tp -83.92 114.73 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' CG2' ' SG ' ' A' ' 43' ' ' CYS . 15.6 t -106.51 145.44 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 61.3 tt0 -102.15 88.16 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -53.06 -54.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 m -142.47 -175.24 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 7.1 tp-100 -43.76 -62.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 1.7 m-85 -111.65 41.72 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 m -142.16 135.27 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 22.2 m-85 -140.55 165.03 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.82 144.68 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.463 ' HE2' ' CZ3' ' A' ' 101' ' ' TRP . 9.8 mmm -92.32 112.04 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.432 ' SG ' ' CG2' ' A' ' 33' ' ' VAL . 1.3 p -100.94 119.53 38.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.4 p -103.28 109.44 21.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CE2' ' HD3' ' A' ' 52' ' ' PRO . 9.0 m-85 -87.28 109.96 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.21 -22.99 65.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 5.8 tp10 -140.13 172.45 12.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -58.01 -44.56 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' ALA . 8.2 ptmm? -105.64 -39.09 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . . . -34.5 130.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.64 149.17 97.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.548 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.09 -66.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.87 111.46 12.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -125.14 129.29 49.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 15.0 tp -110.15 134.71 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -97.02 118.3 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 8.0 mt -90.36 35.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -37.35 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -123.31 -30.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.539 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.4 m-85 -34.61 142.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.422 ' CG2' ' OE1' ' A' ' 111' ' ' GLN . 51.5 m -124.17 95.71 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.182 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 p -83.46 142.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -167.49 167.56 13.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 25.8 m-85 -66.32 124.2 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -133.81 169.16 17.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.88 159.35 81.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.74 117.19 4.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.26 137.56 81.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.39 -60.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.7 mt -64.78 119.05 9.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.4 mt-10 -103.62 -59.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.6 101.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.12 151.9 10.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -96.52 -52.38 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.421 ' CB ' ' HD2' ' A' ' 98' ' ' ARG . . . -80.49 155.48 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 86.8 m-85 -130.6 132.6 45.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.529 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -151.53 119.2 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -118.23 160.89 20.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.05 148.76 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.9 t -107.37 123.07 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 13.1 tptm -121.16 155.14 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.3 mm-40 -34.38 -55.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.22 18.71 3.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.06 147.0 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 m -137.86 122.5 18.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.09 132.33 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.2 mt -105.25 141.9 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.543 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 50.2 m-85 -128.91 156.19 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.65 153.76 43.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 p -122.69 173.73 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -92.23 -37.19 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 168.57 9.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.69 -31.79 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -59.57 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -45.45 -36.77 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 99' ' ' ILE . 19.1 ttt180 -49.74 -69.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 98' ' ' ARG . 12.4 mt -43.7 -46.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.7 -45.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.463 ' CZ3' ' HE2' ' A' ' 42' ' ' MET . 61.8 m95 -66.23 -44.35 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.29 -43.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.55 -60.9 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 90.8 mtp -47.78 -32.42 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -61.84 -53.89 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -64.25 -33.66 76.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.493 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . . . -53.44 -56.59 15.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 19.5 p -71.72 -41.39 68.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.12 30.7 30.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.422 ' OE1' ' CG2' ' A' ' 62' ' ' THR . 4.3 pt20 -54.28 174.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.2 p -91.94 -41.67 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -88.59 104.93 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.47 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -70.29 135.23 86.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.415 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.81 144.56 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.543 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 59.9 t -130.83 137.45 30.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.677 0.751 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.75 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.459 ' HG2' ' NE2' ' A' ' 120' ' ' GLN . 53.9 Cg_endo -69.75 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.5 t -105.13 40.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' NE2' ' HG2' ' A' ' 118' ' ' PRO . 10.6 mt-30 -44.02 150.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.8 t -103.45 108.32 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.72 -174.96 30.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -6.65 19.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.6 t -41.01 126.08 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 p -116.4 -175.75 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -96.45 173.78 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -39.71 145.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.92 -102.87 0.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -134.75 120.88 19.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -74.84 -50.53 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.11 79.76 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -109.06 105.35 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -89.92 -35.13 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -172.04 131.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 p -121.45 155.43 34.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.76 151.38 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -66.8 140.29 57.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' CZ2' ' A' ' 101' ' ' TRP . 23.3 mt -149.98 160.13 43.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.8 m95 -103.93 116.84 33.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 90' ' ' PHE . . . -138.92 152.96 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -147.65 125.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.21 -177.17 15.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -91.18 -29.07 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -102.22 -33.28 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG2' ' CE3' ' A' ' 22' ' ' TRP . 18.2 m -133.12 153.49 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CE3' ' CG2' ' A' ' 21' ' ' VAL . 5.8 m0 62.79 27.17 15.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' TRP . 22.1 mmmt -35.53 -39.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -92.66 141.15 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CE3' HD22 ' A' ' 72' ' ' LEU . 61.1 t-105 -83.48 92.18 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -135.96 156.67 48.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 15' ' ' TRP . 24.3 ttpp -83.96 120.76 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -133.5 145.31 50.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.22 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -91.26 135.6 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG12 ' CE ' ' A' ' 8' ' ' MET . 37.6 t -132.97 124.82 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -81.81 106.37 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.56 139.0 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 48.7 tt0 -96.3 99.78 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.61 -53.31 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 m -132.08 -176.54 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.65 -44.76 73.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -122.03 33.72 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 6.6 m -137.62 138.89 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.449 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 35.5 m-85 -143.73 166.16 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . . . -149.29 146.07 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.471 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 43.8 mmm -93.36 101.32 13.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -94.47 119.58 33.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -96.73 67.06 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -52.39 103.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -52.89 -36.02 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -136.03 169.22 17.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -48.89 -46.53 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.1 mptp? -105.34 -44.39 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' LYS . . . -35.71 123.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 154.13 5.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.659 0.743 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 100.07 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -49.28 -56.96 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -103.4 138.91 39.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 7.8 tp -140.35 128.92 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.0 tp -124.3 106.82 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -70.55 137.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mt -101.72 35.96 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.64 43.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.63 -29.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -49.87 134.89 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.941 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.409 HG21 ' CD ' ' A' ' 111' ' ' GLN . 31.6 m -111.29 99.8 8.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 p -86.7 142.36 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.44 135.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -42.07 120.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 t -127.03 166.32 17.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -60.2 155.89 42.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.76 133.37 25.39 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -79.48 135.97 56.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.51 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.32 -50.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD22 ' CE3' ' A' ' 25' ' ' TRP . 23.8 mt -65.01 119.64 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 49.4 mt-10 -127.21 -29.29 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.98 -45.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.54 162.36 12.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -85.97 -69.61 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB1' ' CD ' ' A' ' 98' ' ' ARG . . . -60.01 154.67 18.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 57.5 m-85 -131.45 113.17 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.2 p90 -138.43 120.72 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 80' ' ' ASN . 39.9 p30 -120.29 161.66 20.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.16 141.64 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.76 128.29 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.3 tptp -121.99 155.55 35.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 32.4 mm-40 -34.44 -53.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.66 15.73 3.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -126.26 149.09 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -138.34 133.84 33.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.58 ' CG1' ' CE1' ' A' ' 90' ' ' PHE . 92.1 t -142.98 130.83 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.3 mt -103.99 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CE1' ' CG1' ' A' ' 88' ' ' VAL . 45.5 m-85 -132.69 161.18 34.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.13 163.7 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -135.51 159.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.85 -49.54 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -130.16 152.36 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.73 -56.59 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -46.09 -21.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -80.58 -57.39 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.448 ' CD ' ' HB1' ' A' ' 77' ' ' ALA . 7.2 ptt180 -48.3 -25.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.33 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.41 -38.35 58.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.489 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 40.9 m95 -68.71 -46.77 68.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 98' ' ' ARG . 88.0 t -60.49 -43.12 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.11 -42.95 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.98 -54.67 12.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 33.1 mmm -53.86 -36.53 62.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.519 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.0 t80 -59.13 -57.45 12.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -64.29 -39.93 94.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -55.04 -43.68 74.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.9 p -80.72 -45.1 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.64 35.44 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.409 ' CD ' HG21 ' A' ' 62' ' ' THR . 4.0 pt20 -59.65 177.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.8 p -91.13 -42.77 10.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -89.87 110.91 21.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.6 tttm -74.27 138.23 75.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 114' ' ' LYS . 54.0 Cg_endo -69.76 149.55 67.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.9 126.55 21.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 118' ' ' PRO . 54.0 Cg_endo -69.73 110.53 2.57 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.4 Cg_endo -69.73 160.84 48.23 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -164.61 133.17 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -116.68 100.84 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.4 m 44.7 39.88 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.51 136.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 124' ' ' SER . 54.2 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' PRO . 13.0 p -34.52 137.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.3 t -137.38 140.18 41.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -125.99 31.7 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -126.12 151.12 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.17 158.01 26.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -85.8 86.71 7.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -164.73 155.6 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.51 -36.31 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ttm -47.78 119.55 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -54.86 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -142.94 154.84 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 p -148.57 165.7 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.13 162.96 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.38 137.85 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 HD13 ' CZ2' ' A' ' 101' ' ' TRP . 83.2 mt -153.22 160.25 42.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CE2' ' HB2' ' A' ' 27' ' ' LYS . 2.0 m95 -108.43 121.76 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . . . -144.6 158.65 43.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tt -153.4 124.93 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.74 -161.41 11.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -102.53 -35.26 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.02 -34.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG21 ' CE3' ' A' ' 22' ' ' TRP . 18.9 m -131.23 153.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CE3' HG21 ' A' ' 21' ' ' VAL . 5.5 m-90 59.49 35.37 22.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -33.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -99.65 157.04 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 65.9 t-105 -95.03 86.81 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 157.3 42.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 25.2 ttpt -85.43 115.73 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -128.05 169.25 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -75.0 99.29 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 25.1 m-85 -92.56 118.61 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.8 t -123.53 123.58 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -79.3 103.56 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.72 147.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.4 tt0 -104.03 97.91 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.38 -52.27 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 p -133.86 -175.03 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -52.82 -61.74 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.448 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 1.1 m-85 -108.71 38.64 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 m -142.74 133.56 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 19.0 m-85 -138.68 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.14 148.63 28.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 83.8 mmm -96.2 102.77 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -94.0 126.86 39.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -107.4 113.37 26.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -104.98 87.91 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 ttt-85 -46.83 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CG ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -64.83 178.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -52.0 -69.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.29 106.96 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . . . -165.93 162.49 18.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 9.3 tt0 -38.21 141.01 0.55 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.78 119.35 6.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.21 -41.31 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -122.57 135.33 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.4 tp -136.48 136.8 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 tp -134.69 106.99 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.94 124.05 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 mt -98.84 38.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.59 -33.9 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.18 -4.01 7.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 83' ' ' LYS . 38.7 m-85 -69.66 144.92 52.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.4 m -121.39 99.15 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -83.31 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.4 p30 -159.16 167.81 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 52.1 m-85 -69.74 127.49 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 t -137.09 155.51 49.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.15 159.85 19.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.5 Cg_endo -69.76 123.72 10.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -72.12 137.74 81.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 93.14 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.92 -49.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.6 115.96 11.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.9 tt0 -101.95 -64.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.35 114.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.99 138.46 9.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.49 -64.19 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.01 139.41 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 54.0 m-85 -120.05 111.22 17.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.6 p90 -135.21 127.34 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -127.99 161.86 28.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.06 153.25 34.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.15 138.79 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 21.5 tptm -128.38 157.03 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 83' ' ' LYS . 5.4 mm-40 -33.0 -49.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.82 15.81 2.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 150.49 49.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.0 m -138.83 131.25 28.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.558 HG12 ' CZ ' ' A' ' 90' ' ' PHE . 61.0 t -135.57 142.57 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 ' N ' HG13 ' A' ' 88' ' ' VAL . 32.6 mt -111.79 152.38 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CZ ' HG12 ' A' ' 88' ' ' VAL . 58.7 m-85 -142.77 158.4 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -148.81 163.29 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.5 p -137.2 170.96 15.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.59 -47.2 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.01 155.98 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.58 -34.99 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -58.97 -37.93 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.53 -49.79 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -43.99 -45.16 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.6 mt -66.67 -40.33 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.3 mt -64.71 -33.64 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.474 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 79.6 m95 -84.02 -38.12 21.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 115' ' ' PRO . 40.2 t -66.65 -40.85 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -67.67 -46.42 72.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.41 -52.0 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 94.4 mtp -58.11 -33.52 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -57.09 -59.02 5.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -57.53 -40.58 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -50.91 -50.68 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.7 p -74.43 -41.27 61.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.07 29.68 45.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -54.12 168.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.5 m -80.5 -43.16 21.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -78.07 173.53 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -129.31 130.04 23.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.467 ' HB2' ' CG1' ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.8 129.65 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.528 ' O ' ' CD1' ' A' ' 65' ' ' TYR . 7.6 p -118.52 138.01 25.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 116' ' ' VAL . 54.1 Cg_endo -69.73 128.86 16.67 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.61 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.43 117.22 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -128.49 96.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.7 p -144.72 105.51 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 177.41 -149.09 9.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 124.91 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' SER . 71.7 m -136.22 154.73 50.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' SER . 53.6 p 35.06 41.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.697 ' HB2' HD23 ' A' ' 32' ' ' LEU . 18.4 mmmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -156.6 134.0 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -127.89 155.02 44.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.86 152.09 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -64.82 140.41 58.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.1 mt -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.0 m95 -103.02 117.94 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -145.71 148.7 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.17 125.62 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.74 -159.93 11.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -102.72 -43.7 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -93.5 -31.35 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.577 HG23 ' CE3' ' A' ' 22' ' ' TRP . 21.8 m -126.31 166.59 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.577 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.9 m-90 43.64 31.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -38.34 -38.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 151.14 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.489 ' CD2' HD22 ' A' ' 72' ' ' LEU . 50.6 t-105 -99.39 94.1 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 37.3 tttm -145.86 155.43 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.6 ttpp -67.7 106.94 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -126.02 155.93 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.29 139.61 56.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.5 m-85 -139.29 129.8 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.05 126.75 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD23 ' HB2' ' A' ' 9' ' ' LYS . 24.3 tp -85.25 109.53 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 34' ' ' GLN . 54.4 t -105.84 155.39 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.5 tt0 -104.12 105.94 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.41 -57.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -124.25 168.44 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 9.6 mt-30 -40.63 -42.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.5 38.11 4.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.85 131.72 24.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.699 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 6.6 m-85 -131.81 165.85 22.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.6 149.57 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.05 102.8 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.4 m -95.53 120.74 36.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.739 0.224 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -60.53 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -109.49 147.43 32.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.995 HD11 ' HB1' ' A' ' 41' ' ' ALA . 5.5 tp -149.24 134.37 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.797 ' N ' HD12 ' A' ' 55' ' ' LEU . 16.4 tp -132.33 108.44 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -67.68 124.35 23.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 109' ' ' THR . 45.2 mt -85.09 31.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 17.8 p-10 -78.86 76.88 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . 125.51 -41.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.1 m-85 -37.43 135.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 0.0 110.952 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.7 m -110.41 94.09 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.7 p -83.31 136.1 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -164.58 151.39 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.24 130.23 41.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 t -140.68 149.88 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.87 157.72 7.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.3 Cg_endo -69.78 107.83 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -62.94 142.75 97.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.82 -61.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 89' ' ' ILE . 34.9 mt -56.28 106.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -119.63 64.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.14 -63.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.03 179.02 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -82.89 -69.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.748 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -55.55 144.87 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.9 m-85 -128.82 129.35 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -155.56 121.65 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -119.59 156.6 30.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 61' ' ' TYR . . . -108.43 135.19 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.84 127.46 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 15.4 tptm -125.26 155.97 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.51 -55.27 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.87 15.47 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -126.61 143.57 51.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.4 m -138.72 122.75 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.7 t -129.85 140.78 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.639 HD13 HD11 ' A' ' 72' ' ' LEU . 11.3 mt -108.28 153.31 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.463 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 73.6 m-85 -140.06 150.16 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.41 149.03 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.467 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 67.0 p -122.54 -178.32 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -82.11 -32.17 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 3.4 p-10 -133.99 162.61 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 19.9 tt0 -73.35 -32.28 64.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.29 -46.76 85.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.88 -50.19 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.748 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 23.7 ttp180 -42.01 -56.32 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.7 mt -48.42 -52.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.35 -29.95 62.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.708 ' CE2' HD11 ' A' ' 14' ' ' LEU . 44.7 m95 -79.49 -42.86 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.15 -42.5 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -59.14 -40.24 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.2 -57.9 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.774 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.8 mmm -51.25 -39.71 57.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 6.7 t80 -52.16 -53.58 41.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -66.35 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.67 -41.45 70.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 61' ' ' TYR . 29.8 p -84.65 -45.05 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.43 36.61 16.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 8.4 pt20 -60.56 172.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.882 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -88.25 -42.2 12.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.529 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 54.2 m-70 -89.18 103.38 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 74.8 tttt -67.77 135.64 92.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.55 65.43 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.503 HG23 ' HD2' ' A' ' 117' ' ' PRO . 14.9 p -138.44 136.8 19.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.55 125.58 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -121.13 130.1 53.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.98 163.92 29.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -76.54 131.3 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 110.966 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD11 ' CE2' ' A' ' 101' ' ' TRP . 95.7 mt -146.33 158.68 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 4.6 m95 -100.8 121.53 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.1 147.88 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -146.12 125.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.92 -175.96 14.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -82.71 -52.01 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.301 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -87.81 -35.46 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.6 m -117.98 154.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.7 m-90 50.14 34.57 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -43.31 -23.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 22' ' ' TRP . 14.3 ttp180 -112.36 150.13 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 72' ' ' LEU . 73.4 t-105 -85.17 89.19 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -124.2 155.98 37.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 22.1 ttpp -97.27 107.25 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -128.75 169.62 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -71.33 128.22 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.7 m-85 -119.61 142.69 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -140.71 125.92 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -79.74 100.4 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.69 150.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 tt0 -104.99 98.41 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 t -62.79 -55.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 m -128.79 -176.05 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 28.4 mm100 -56.89 -45.0 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -117.98 24.76 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 3.9 m -130.4 144.33 51.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.481 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.5 m-85 -144.12 160.44 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 1.003 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -145.53 147.63 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.406 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 40.2 mmm -94.54 102.79 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.618 ' SG ' HD13 ' A' ' 55' ' ' LEU . 89.0 m -99.78 130.47 45.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.727 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.741 0.225 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -48.08 -47.59 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -114.87 146.61 40.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.003 HD11 ' HB1' ' A' ' 41' ' ' ALA . 15.4 tp -152.01 141.47 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 55' ' ' LEU . 19.4 tp -132.45 110.01 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -78.47 121.2 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.726 ' HB3' HG22 ' A' ' 109' ' ' THR . 21.7 mt -85.78 33.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.97 -52.8 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.03 22.1 4.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.645 ' O ' HG21 ' A' ' 109' ' ' THR . 15.2 m-85 -75.69 142.46 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.648 HG23 ' CD ' ' A' ' 111' ' ' GLN . 17.0 m -117.39 100.63 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 105' ' ' MET . 4.7 p -89.23 132.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.486 ' OD2' HG22 ' A' ' 62' ' ' THR . 1.4 m-20 -156.67 157.96 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 11.8 m-85 -64.34 136.07 56.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.408 HG21 ' ND2' ' A' ' 80' ' ' ASN . 13.1 t -147.72 166.13 28.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 155.12 85.02 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.75 107.43 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.537 ' OE1' HD12 ' A' ' 72' ' ' LEU . 15.9 mp0 -53.63 139.18 50.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.726 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.7 -60.72 0.67 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.602 HD22 ' CE3' ' A' ' 25' ' ' TRP . 34.3 mt -52.15 111.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -113.7 72.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.465 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -166.51 96.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.27 15.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -90.74 -60.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.766 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -75.65 150.2 38.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 73.4 m-85 -131.33 108.02 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 13.9 p90 -125.04 122.16 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HB3' HG23 ' A' ' 89' ' ' ILE . 36.3 p30 -117.94 158.76 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.62 153.51 32.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.444 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 3.9 p -118.19 136.15 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.5 tptm -125.85 156.74 39.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 14.2 mt-10 -34.05 -51.9 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.14 14.11 3.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.03 150.47 49.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.7 m -138.67 137.98 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 90' ' ' PHE . 33.2 t -142.53 148.64 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.531 HG21 ' OE1' ' A' ' 69' ' ' GLN . 11.6 mt -122.22 140.17 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 24.7 m-85 -130.72 159.42 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.92 156.78 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.4 p -126.55 163.92 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -69.4 -44.73 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.95 147.52 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.416 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 3.4 tm-20 -46.89 -57.03 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -44.75 -47.96 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -50.5 -52.06 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.766 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 33.9 ttp180 -47.4 -61.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -38.23 -58.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -45.94 -39.53 8.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.755 ' CE2' HD11 ' A' ' 14' ' ' LEU . 60.1 m95 -75.48 -49.66 18.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.423 HG11 ' CE1' ' A' ' 65' ' ' TYR . 39.6 t -52.87 -51.53 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -53.56 -51.72 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.66 ' HB2' HG11 ' A' ' 63' ' ' VAL . 87.2 mtp -46.28 -33.23 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -60.07 -60.35 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -59.28 -35.28 73.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.27 -47.66 68.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.726 HG22 ' HB3' ' A' ' 58' ' ' LEU . 4.9 p -79.84 -42.09 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.39 27.38 39.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.648 ' CD ' HG23 ' A' ' 62' ' ' THR . 14.0 pt20 -50.5 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -95.34 -41.84 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.52 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 19.3 m-70 -85.94 109.94 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 19.0 ttpt -71.19 131.33 87.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 143.2 50.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.669 HG13 ' HD2' ' A' ' 117' ' ' PRO . 87.7 t -127.34 138.6 33.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.669 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 6.0 t-80 -131.5 136.86 48.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -135.45 135.8 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.52 165.99 20.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 91.3 m-85 -74.62 142.39 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.953 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 91' ' ' ALA . 60.2 mt -154.34 159.91 41.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.525 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.3 m95 -107.86 119.85 40.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -142.45 157.12 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.11 123.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.05 12.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -102.21 -40.7 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -95.26 -39.71 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.7 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.4 m -116.28 168.7 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.7 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 41.67 38.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -55.9 -15.4 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 124.99 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.471 ' CD2' HD22 ' A' ' 72' ' ' LEU . 74.5 t-105 -71.83 100.25 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -146.55 155.89 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 47.3 tttt -78.4 102.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -118.12 168.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.55 121.99 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 48.1 m-85 -115.63 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -133.43 129.55 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.21 105.75 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 34' ' ' GLN . 59.7 t -98.48 153.62 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 65.1 tt0 -104.7 112.92 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -84.16 -58.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -124.07 -179.25 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 12.7 tp60 -46.53 -50.84 16.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 4.2 m-85 -122.13 39.34 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.41 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 4.1 m -138.65 138.57 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 19.5 m-85 -140.26 172.11 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.34 149.25 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.575 ' HG2' HD11 ' A' ' 58' ' ' LEU . 34.6 mmm -95.34 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -92.29 128.02 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.701 0.209 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -79.27 -72.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -66.33 111.99 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' A' ' 41' ' ' ALA . 2.5 tt -127.26 122.54 34.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 61' ' ' TYR . 17.7 tp -113.09 119.48 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -83.9 129.29 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.665 ' HB3' HG22 ' A' ' 109' ' ' THR . 4.2 mt -98.01 33.87 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.62 -29.97 66.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -128.85 -32.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 8.4 m-85 -34.53 141.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.71 HG23 ' CD ' ' A' ' 111' ' ' GLN . 85.4 m -119.03 95.15 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.762 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.0 p -82.8 138.57 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -163.64 164.08 24.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE1' HG11 ' A' ' 102' ' ' VAL . 24.8 m-85 -66.59 129.5 40.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -141.18 159.5 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.36 157.73 80.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 115.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.761 2.307 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -61.64 134.48 93.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.72 -53.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 25' ' ' TRP . 33.0 mt -61.24 131.54 50.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -121.16 39.79 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.63 137.11 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.45 163.45 2.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -92.66 -69.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.859 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.95 148.46 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 77.8 m-85 -129.19 112.15 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 3.3 p90 -133.47 130.37 38.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 45.0 p30 -127.3 167.89 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.96 147.18 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -107.37 127.78 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 9.6 tptm -126.97 156.07 42.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.45 -54.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.59 19.03 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.83 146.41 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 m -138.38 126.23 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.594 HG12 ' CE1' ' A' ' 90' ' ' PHE . 46.7 t -133.65 132.72 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 80' ' ' ASN . 14.9 mt -103.09 154.13 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CE1' HG12 ' A' ' 88' ' ' VAL . 26.5 m-85 -142.55 162.79 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.601 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -146.04 176.26 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -147.05 171.66 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.54 -43.6 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -122.87 154.3 38.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.96 -48.85 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -51.74 -40.65 60.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -54.7 -53.69 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.859 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 45.6 ttp180 -42.97 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ARG . 33.5 mt -36.94 -57.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -45.93 -47.15 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 77.0 m95 -66.97 -46.44 74.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 65' ' ' TYR . 37.8 t -55.64 -45.97 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -60.48 -46.75 88.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.98 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.762 ' HB2' HG11 ' A' ' 63' ' ' VAL . 84.7 mtp -43.11 -35.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.2 t80 -57.03 -58.42 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -63.4 -31.23 72.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -59.05 -46.75 87.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.665 HG22 ' HB3' ' A' ' 58' ' ' LEU . 24.3 p -79.97 -40.87 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.85 31.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.71 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.3 pt20 -56.66 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -95.62 -43.17 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.33 100.68 12.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 13.8 ttmm -62.77 138.18 96.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.09 46.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.559 HG23 ' HD2' ' A' ' 117' ' ' PRO . 9.3 p -114.94 137.39 22.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.482 ' OG ' HG13 ' A' ' 31' ' ' VAL . 42.7 m -135.58 146.51 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.55 147.69 4.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.0 m-85 -56.42 132.98 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' CE2' ' A' ' 101' ' ' TRP . 64.1 mt -149.47 138.26 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.8 m95 -83.62 126.22 32.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -147.48 148.14 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 tt -140.88 124.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.07 -177.81 16.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -86.75 -40.18 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -97.93 -35.45 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -121.03 161.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.665 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 47.64 28.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -41.37 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -103.47 139.7 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.492 ' CD2' HD22 ' A' ' 72' ' ' LEU . 70.7 t-105 -83.57 96.73 8.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -145.73 154.45 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 17.4 ttpp -73.87 120.72 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -134.96 145.48 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -60.45 104.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 12.0 m-85 -100.81 140.06 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG13 ' OG ' ' A' ' 11' ' ' SER . 62.1 t -141.83 130.68 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -82.72 118.65 23.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -111.41 151.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 58.6 tt0 -105.87 107.28 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.31 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 t -121.5 172.82 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -47.31 -39.5 14.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.15 37.49 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -140.8 133.12 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.844 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.9 m-85 -135.84 166.17 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.934 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.62 150.73 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.508 ' HG2' HD11 ' A' ' 58' ' ' LEU . 72.0 mmm -92.36 106.5 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.624 ' SG ' HD13 ' A' ' 55' ' ' LEU . 85.3 m -100.27 116.84 33.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.767 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.733 0.222 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.33 -59.04 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -93.68 137.23 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.934 HD11 ' HB1' ' A' ' 41' ' ' ALA . 18.7 tp -146.04 133.44 20.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.487 HD21 HG21 ' A' ' 88' ' ' VAL . 18.6 tp -123.63 107.3 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -74.58 125.46 28.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 109' ' ' THR . 1.7 mt -96.68 38.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.84 -21.01 63.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.25 -0.87 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.711 ' O ' HG21 ' A' ' 109' ' ' THR . 11.9 m-85 -74.11 136.09 42.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -109.18 95.09 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 105' ' ' MET . 3.7 p -83.0 142.73 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -171.7 149.88 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.0 m-85 -52.11 136.48 29.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -144.14 163.18 34.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -65.79 157.65 78.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.74 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -58.02 143.02 78.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.29 -52.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 25' ' ' TRP . 20.9 mt -68.62 123.25 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 5.6 tp10 -112.37 -61.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.3 107.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.1 144.9 16.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -90.4 -50.9 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.801 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -67.03 141.89 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 53.8 m-85 -127.89 115.41 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.2 p90 -140.15 124.52 17.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -122.87 164.26 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.39 152.58 32.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.84 125.63 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.3 tptm -123.74 155.84 37.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 28.4 mm-40 -34.48 -56.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.77 18.9 3.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.9 148.13 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -138.14 122.76 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.487 HG21 HD21 ' A' ' 56' ' ' LEU . 28.4 t -129.7 140.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 90' ' ' PHE . 23.8 mt -110.99 157.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 92.6 m-85 -143.81 153.08 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.87 150.71 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 p -123.58 -175.88 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -86.89 -41.32 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 21.0 t0 -119.8 155.68 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 46.7 tt0 -66.12 -40.21 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.587 ' HA ' HD12 ' A' ' 99' ' ' ILE . 0.7 OUTLIER -58.11 -43.34 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 100' ' ' LEU . 6.8 m-20 -55.02 -50.25 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.801 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 46.2 ttp180 -45.88 -46.71 15.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 96' ' ' GLN . 29.7 mt -55.06 -50.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 97' ' ' ASP . 19.0 mt -51.96 -46.17 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.708 ' CE2' HD11 ' A' ' 14' ' ' LEU . 68.0 m95 -67.52 -44.27 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.964 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 37.3 t -58.43 -40.48 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.06 -44.73 91.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.576 ' HB2' HG11 ' A' ' 63' ' ' VAL . 84.0 mtp -47.74 -30.84 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.7 OUTLIER -60.79 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -72.84 -36.93 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -51.83 -43.12 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.711 HG21 ' O ' ' A' ' 61' ' ' TYR . 9.8 p -81.51 -48.32 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.72 25.15 23.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -51.81 177.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.9 m -99.74 -40.16 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.8 99.29 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 34.9 tttp -63.96 135.57 96.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.91 26.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.676 HG23 ' HD2' ' A' ' 117' ' ' PRO . 5.0 p -104.53 138.66 19.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HB2' HD23 ' A' ' 32' ' ' LEU . 27.7 mmtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -125.53 154.48 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.1 p -151.14 163.29 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.08 167.26 11.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.16 128.81 34.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.886 0.374 . . . . 0.0 110.951 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD11 ' CE2' ' A' ' 101' ' ' TRP . 18.5 mt -141.98 160.86 39.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.3 m95 -99.06 117.92 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -135.88 153.18 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -148.85 127.33 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.98 -157.39 9.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.533 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -101.41 -42.82 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -93.7 -39.97 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.654 HG23 ' CE3' ' A' ' 22' ' ' TRP . 19.4 m -113.92 169.02 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.654 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.1 m-90 37.87 38.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -43.69 -22.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.9 mmt85 -106.11 164.73 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.1 t-105 -105.92 95.53 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -146.32 154.19 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 33.9 tttp -70.08 120.36 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -130.65 154.84 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -69.33 98.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 19.8 m-85 -96.49 138.77 33.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.3 t -139.0 122.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 9' ' ' LYS . 30.3 tp -79.46 103.25 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -99.12 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 61.6 tt0 -98.29 101.59 13.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 t -71.3 -61.64 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -115.6 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 16.5 tp60 -48.96 -40.94 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 2.0 m-85 -125.25 33.12 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -136.82 136.5 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.1 m-85 -138.86 163.99 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.13 149.57 30.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.85 103.73 16.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -99.24 124.91 44.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.75 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.736 0.223 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -49.52 -51.74 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -95.3 134.13 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.815 HD21 ' HB1' ' A' ' 41' ' ' ALA . 6.2 tt -149.16 115.4 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.692 HD11 ' OH ' ' A' ' 61' ' ' TYR . 21.5 tp -105.8 110.27 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.09 128.0 34.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HB3' HG22 ' A' ' 109' ' ' THR . 57.6 mt -93.43 35.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -79.95 43.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.27 -36.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.692 ' OH ' HD11 ' A' ' 56' ' ' LEU . 11.3 m-85 -39.15 144.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.498 HG23 ' CD ' ' A' ' 111' ' ' GLN . 36.6 m -115.4 93.91 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.748 HG11 ' HB2' ' A' ' 105' ' ' MET . 3.8 p -83.59 133.87 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -161.51 155.78 22.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.8 m-85 -61.47 134.69 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.419 HG21 ' ND2' ' A' ' 80' ' ' ASN . 11.4 t -146.37 162.06 39.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.68 152.83 44.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.558 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.77 105.11 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -46.77 138.05 7.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.679 . . . . 0.0 110.956 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 128.24 -62.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD11 HD13 ' A' ' 89' ' ' ILE . 27.3 mt -36.03 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.64 113.71 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.415 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -177.41 -44.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.95 178.8 18.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -89.03 -61.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.759 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -69.25 144.87 53.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 78.4 m-85 -129.17 118.15 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.4 p90 -136.54 121.88 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.419 ' ND2' HG21 ' A' ' 66' ' ' THR . 33.4 p30 -111.59 173.78 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.86 139.28 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.76 126.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 12.6 tptm -124.23 156.04 37.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 83' ' ' LYS . 9.6 mm-40 -32.84 -44.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.22 24.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.23 148.21 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 m -138.73 117.51 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.588 HG12 ' CE1' ' A' ' 90' ' ' PHE . 49.9 t -131.5 140.62 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 72' ' ' LEU . 6.3 mt -111.74 153.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CE1' HG12 ' A' ' 88' ' ' VAL . 46.4 m-85 -141.73 163.03 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.527 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -147.05 174.89 11.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 45.3 p -147.39 176.53 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.66 -43.26 56.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.19 156.32 49.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 20.8 tt0 -53.79 -44.74 70.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.22 67.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -54.49 -46.07 73.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.759 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 52.5 ttp180 -47.42 -61.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.54 -61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -39.28 -40.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.598 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.1 m95 -77.83 -51.96 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.441 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 25.1 t -48.46 -49.82 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.37 -50.83 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.14 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.748 ' HB2' HG11 ' A' ' 63' ' ' VAL . 86.0 mtp -46.89 -33.0 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 7.3 t80 -59.48 -57.39 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtt-85 -64.09 -40.7 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.52 -35.13 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 105' ' ' MET . 21.8 p -89.07 -41.29 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.49 37.38 31.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.498 ' CD ' HG23 ' A' ' 62' ' ' THR . 6.6 pt20 -59.97 174.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -87.17 -45.01 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -91.97 117.3 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 19.0 tttp -76.15 134.54 70.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.08 52.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 117' ' ' PRO . 5.5 p -125.57 138.63 32.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.696 ' HB2' HD23 ' A' ' 32' ' ' LEU . 29.2 mmmt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -140.62 162.05 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.0 p -157.82 143.76 17.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.05 150.2 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -53.29 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD11 ' CE2' ' A' ' 101' ' ' TRP . 93.4 mt -151.23 159.68 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -112.58 119.44 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -141.87 154.5 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -147.53 120.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.38 -172.44 15.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -86.81 -43.1 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.85 -39.11 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG23 ' CE3' ' A' ' 22' ' ' TRP . 27.2 m -116.67 159.64 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.637 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.7 m-90 50.18 30.32 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -39.83 -31.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -105.39 147.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.643 ' CE3' HD22 ' A' ' 72' ' ' LEU . 75.1 t-105 -85.31 99.54 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.24 154.33 46.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 22.4 tttm -81.8 110.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -127.58 165.15 20.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -78.24 107.19 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 21.3 m-85 -98.65 140.2 33.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.58 141.98 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' ' 9' ' ' LYS . 46.8 tp -96.6 106.37 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.41 139.53 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -96.34 101.71 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 t -71.36 -64.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -116.92 178.52 4.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -52.68 -41.55 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -124.84 37.13 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -142.04 136.37 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 36.7 m-85 -137.65 168.4 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.82 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.89 143.16 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.402 ' HG2' HD11 ' A' ' 58' ' ' LEU . 81.3 mmm -92.27 103.14 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 m -92.44 131.83 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.735 0.223 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -57.21 -47.08 82.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -94.32 121.57 35.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.82 HD21 ' HB1' ' A' ' 41' ' ' ALA . 2.1 tt -142.61 114.43 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' CD2' HG21 ' A' ' 88' ' ' VAL . 16.7 tp -109.44 114.42 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 11.0 mt-30 -76.75 137.49 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.85 ' O ' HG22 ' A' ' 109' ' ' THR . 10.0 mt -105.54 38.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.18 -68.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.73 18.64 29.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 18.2 m-85 -75.65 150.15 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.51 HG22 ' OD2' ' A' ' 64' ' ' ASP . 9.4 m -122.19 94.49 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.778 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.5 p -82.76 135.0 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.51 ' OD2' HG22 ' A' ' 62' ' ' THR . 24.6 m-20 -158.95 -177.8 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.42 129.17 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -137.8 154.08 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.65 153.35 83.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -47.41 140.54 7.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.08 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.54 -52.71 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.643 HD22 ' CE3' ' A' ' 25' ' ' TRP . 18.5 mt -65.67 108.48 2.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -109.45 64.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.61 96.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 155.69 16.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -88.54 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.653 ' HB3' ' OG ' ' A' ' 92' ' ' SER . . . -69.07 146.08 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 40.5 m-85 -131.33 124.99 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.9 p90 -143.32 120.14 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -114.44 156.26 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.37 155.38 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.21 129.06 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 21.6 tptm -126.5 156.93 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 44.3 mm-40 -33.91 -52.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.44 18.82 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.17 144.65 50.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -135.54 137.27 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.623 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.7 t -144.99 137.9 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 mt -109.87 148.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.623 ' CE1' HG12 ' A' ' 88' ' ' VAL . 48.5 m-85 -137.72 163.38 31.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.17 162.66 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.653 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 24.6 p -135.11 167.36 21.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.12 -52.83 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.6 164.56 16.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -62.37 -46.15 89.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -51.31 -53.15 38.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.14 -52.63 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.582 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 41.3 ttp180 -44.53 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ARG . 77.1 mt -36.82 -53.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 mt -50.96 -41.14 59.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.624 ' CE2' HD11 ' A' ' 14' ' ' LEU . 67.5 m95 -73.64 -47.14 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 55.1 t -57.75 -37.84 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -67.42 -44.79 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.41 -62.15 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.778 ' HB2' HG11 ' A' ' 63' ' ' VAL . 67.1 mtp -51.6 -31.26 24.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.4 t80 -59.48 -53.62 56.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -67.73 -36.76 81.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.24 -44.39 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 58' ' ' LEU . 61.5 p -81.05 -45.42 16.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.6 32.32 13.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 19.3 pt20 -54.48 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -104.46 -39.19 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.55 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 62.5 m-70 -86.46 101.58 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 39.0 tttm -62.98 125.75 87.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.38 47.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 117' ' ' PRO . 85.0 t -135.83 136.96 24.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.761 ' HB2' HD23 ' A' ' 32' ' ' LEU . 23.6 mmtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -135.42 140.27 44.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.564 ' CB ' HG22 ' A' ' 31' ' ' VAL . 88.5 p -143.24 141.82 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.68 159.32 9.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.81 129.24 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 101' ' ' TRP . 96.7 mt -143.76 159.28 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.2 m95 -108.53 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -134.81 158.4 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 tt -154.22 124.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.44 -164.51 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -92.91 -43.67 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -98.35 -33.81 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG23 ' CE3' ' A' ' 22' ' ' TRP . 30.4 m -115.26 159.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.4 m-90 43.68 35.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -43.14 -27.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -105.27 149.35 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.2 t-105 -89.57 100.09 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -142.29 156.2 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 14.6 tttt -83.95 112.59 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -130.35 160.05 35.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -69.57 116.18 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 12.9 m-85 -108.93 141.49 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG22 ' CB ' ' A' ' 11' ' ' SER . 24.6 t -140.75 139.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.761 HD23 ' HB2' ' A' ' 9' ' ' LYS . 19.3 tp -93.17 105.38 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 t -98.99 140.96 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 37.3 tt0 -96.7 103.73 15.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.37 -62.2 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -113.99 170.88 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -46.82 -39.95 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.64 35.63 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -139.15 136.15 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 11.6 m-85 -135.8 166.77 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.879 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.34 149.77 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 mmm -92.47 108.15 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 m -100.02 115.16 29.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.706 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.76 0.233 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' PRO . 13.0 mt-30 -36.92 -31.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 mp0 -137.02 154.86 50.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.879 HD11 ' HB1' ' A' ' 41' ' ' ALA . 14.3 tp -154.84 129.88 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 16.3 tp -126.58 108.93 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -78.35 121.66 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.706 ' HB3' HG22 ' A' ' 109' ' ' THR . 5.1 mt -87.03 35.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -44.96 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -129.38 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.631 ' CZ ' HD11 ' A' ' 56' ' ' LEU . 17.6 m-85 -34.97 139.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.494 HG23 ' CB ' ' A' ' 111' ' ' GLN . 3.5 m -114.0 100.14 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 105' ' ' MET . 4.1 p -82.86 146.89 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.49 167.64 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' HG11 ' A' ' 102' ' ' VAL . 11.3 m-85 -76.2 136.51 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -144.93 170.18 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.9 153.32 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.74 115.57 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -66.49 141.1 96.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 108.83 2.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.47 -62.7 0.61 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -50.78 114.21 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.314 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 8.6 pt-20 -122.4 90.73 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.495 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -144.05 -56.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -174.47 13.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.514 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 30.8 ttm-85 -87.7 -67.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.78 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -62.82 146.24 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 74.6 m-85 -131.42 109.27 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -123.61 125.43 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -120.81 155.65 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.16 153.7 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.6 t -118.07 124.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.583 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 15.5 tptp -120.59 154.57 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.4 mm-40 -31.83 -44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.25 19.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.427 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -127.29 146.61 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.5 m -138.77 129.45 26.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.459 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.7 t -138.24 141.99 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mt -111.86 150.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.706 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 89.9 m-85 -138.55 161.94 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.73 150.19 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.2 p -123.47 171.58 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -72.04 -49.47 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.58 152.69 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.99 -26.68 66.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -65.79 -45.02 83.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.2 m-20 -56.03 -51.14 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.78 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 14.3 ttp180 -39.23 -49.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.6 mt -59.3 -46.86 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 97' ' ' ASP . 13.5 mt -53.91 -30.74 47.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.7 ' CE2' HD11 ' A' ' 14' ' ' LEU . 78.1 m95 -85.04 -46.39 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.556 HG11 ' CE1' ' A' ' 65' ' ' TYR . 97.3 t -57.65 -45.73 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -60.32 -46.96 88.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.715 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.1 mtp -47.93 -33.22 7.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.2 t80 -56.41 -47.03 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -75.91 -34.01 59.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -59.73 -36.52 76.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 58' ' ' LEU . 16.3 p -88.33 -38.99 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.38 34.57 44.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.494 ' CB ' HG23 ' A' ' 62' ' ' THR . 23.9 pt20 -56.04 177.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -101.06 -21.64 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 70.5 t60 -104.06 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -70.62 124.3 90.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.24 37.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.579 HG23 ' HD2' ' A' ' 117' ' ' PRO . 8.2 p -121.7 137.36 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.712 ' HB2' HD23 ' A' ' 32' ' ' LEU . 66.0 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -160.17 148.94 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 p -147.36 175.2 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.64 146.06 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -51.52 131.1 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 101' ' ' TRP . 90.4 mt -143.99 160.25 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.1 m95 -107.93 118.91 37.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.42 156.79 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.7 tt -148.93 133.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.64 -169.74 12.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -93.88 -39.51 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.96 -24.05 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' LYS . 24.0 m -127.85 165.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.477 ' NE1' ' HB2' ' A' ' 54' ' ' GLU . 4.5 m-90 37.11 29.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' VAL . 69.0 mttt -41.87 -28.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -99.69 136.26 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.748 ' CE3' HD22 ' A' ' 72' ' ' LEU . 75.8 t-105 -77.09 98.79 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -141.26 156.55 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 5.6 ttpp -88.5 112.06 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -130.76 160.12 35.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.05 125.31 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 15.5 m-85 -116.57 137.35 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.26 122.5 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 9' ' ' LYS . 20.2 tp -80.57 105.55 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.3 t -93.39 137.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 38.1 tt0 -88.43 95.36 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 t -67.02 -66.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -113.76 -176.94 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -53.62 -47.17 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.89 27.5 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -128.9 138.58 52.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 43.6 m-85 -137.65 168.63 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.854 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.12 146.68 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.0 mmt -93.74 104.81 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 119.29 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.785 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.746 0.228 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.62 -48.19 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 25.8 mp0 -105.4 132.01 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.854 HD21 ' HB1' ' A' ' 41' ' ' ALA . 5.0 tt -142.09 114.34 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.85 116.82 32.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.06 128.78 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 109' ' ' THR . 3.6 mt -98.24 37.57 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.6 -21.83 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.4 14.96 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 13.0 m-85 -80.72 142.72 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.441 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.8 m -112.34 95.26 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.733 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.4 p -84.34 128.9 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.21 165.54 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 24.5 m-85 -67.89 141.32 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 170.75 16.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.05 158.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.74 109.12 2.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.54 139.01 97.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 93.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.4 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 152.45 -46.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.748 HD22 ' CE3' ' A' ' 25' ' ' TRP . 56.3 mt -70.1 108.78 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -124.35 64.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -123.12 -43.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.42 -172.84 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -95.49 -69.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 95' ' ' GLU . . . -55.95 145.06 26.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 34.1 m-85 -130.41 121.5 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 6.2 p90 -147.46 126.59 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -126.0 154.69 42.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.14 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.0 t -106.7 127.02 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 12.8 tptm -118.45 156.91 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.9 mt-10 -33.59 -49.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.61 11.39 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.51 149.12 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 m -138.71 139.26 38.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 90' ' ' PHE . 70.3 t -144.74 138.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 mt -107.28 152.71 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 88' ' ' VAL . 66.0 m-85 -142.64 156.24 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.03 31.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.42 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 6.1 t -119.52 -179.97 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 97' ' ' ASP . 0.7 OUTLIER -142.42 162.45 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 10.2 tm-20 -64.12 -38.64 91.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -55.74 -41.16 73.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 73.2 m-20 -63.97 -52.45 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.497 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 33.2 ttp180 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.52 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.428 ' H ' HD12 ' A' ' 100' ' ' LEU . 7.3 mp -56.19 -36.54 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.578 ' CE2' HD11 ' A' ' 14' ' ' LEU . 50.5 m95 -71.83 -43.22 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.96 -45.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.82 -47.1 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.48 -57.55 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.733 ' CB ' HG11 ' A' ' 63' ' ' VAL . 40.3 mmm -51.65 -38.84 56.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 10.8 t80 -55.62 -57.62 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -62.28 -39.15 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 40' ' ' PHE . . . -55.59 -40.85 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' ' 58' ' ' LEU . 46.0 p -79.75 -46.74 16.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.5 34.65 9.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.415 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 12.9 pt20 -67.22 170.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -101.28 -27.54 13.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -86.06 69.86 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 16.6 tttm -40.86 123.4 1.94 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.408 ' CD ' ' CD1' ' A' ' 106' ' ' TYR . 53.6 Cg_endo -69.74 142.55 48.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 117' ' ' PRO . 99.6 t -115.06 138.91 23.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.05 157.02 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -157.5 158.11 35.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 159.41 8.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.65 135.01 54.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.957 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 101' ' ' TRP . 34.1 mt -152.75 141.77 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.631 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 7.5 m95 -86.5 118.01 25.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.98 149.13 42.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.51 124.23 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.53 177.42 16.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -45.17 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -90.47 -39.91 12.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.72 HG23 ' CE3' ' A' ' 22' ' ' TRP . 25.2 m -118.68 155.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.72 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.4 m-90 51.25 38.08 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -47.47 -26.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -101.62 149.88 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.671 ' CD2' HD22 ' A' ' 72' ' ' LEU . 72.8 t-105 -87.3 95.4 9.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 34.6 tptt -140.61 152.63 45.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 16.2 ttmt -89.1 117.74 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.95 169.56 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.5 126.57 29.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 18.1 m-85 -124.44 125.31 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.33 135.36 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.201 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -85.72 106.94 17.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.87 137.17 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 41.9 tt0 -95.47 96.18 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.89 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 p -135.16 -175.11 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -46.27 -59.58 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.06 41.31 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.426 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.4 m -142.25 137.32 30.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 23.0 m-85 -142.72 168.19 20.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.8 143.62 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 78.8 mmm -92.39 104.17 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.432 ' SG ' HD13 ' A' ' 55' ' ' LEU . 3.8 m -94.22 128.77 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.733 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.699 0.208 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' C ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -47.22 -61.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 33.6 mp0 -100.07 130.76 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.803 HD11 ' HB1' ' A' ' 41' ' ' ALA . 22.9 tp -131.26 140.45 49.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 55' ' ' LEU . 23.1 tp -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.74 136.71 53.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' HB3' HG22 ' A' ' 109' ' ' THR . 62.5 mt -98.56 30.51 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.34 80.47 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.96 -34.45 3.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.8 m-85 -45.42 140.03 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.436 HG22 ' OD2' ' A' ' 64' ' ' ASP . 5.2 m -111.62 95.79 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 105' ' ' MET . 7.5 p -84.08 138.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.2 m-20 -164.2 167.73 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -69.08 135.49 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -145.13 154.44 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.28 161.58 48.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.8 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -53.37 139.5 47.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.19 -54.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.671 HD22 ' CD2' ' A' ' 25' ' ' TRP . 13.8 mt -68.63 143.27 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -128.54 -54.8 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.56 134.99 3.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -85.67 -53.97 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.54 144.56 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.1 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.0 p90 -149.39 127.15 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 56.1 p30 -125.22 168.31 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.82 149.33 40.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.1 t -109.61 128.27 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 12.7 tptm -128.59 156.36 43.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.6 mt-10 -33.66 -58.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.7 21.18 3.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.02 146.45 50.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.4 m -138.59 129.64 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.19 131.74 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 90' ' ' PHE . 13.0 mt -103.35 156.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 91.3 m-85 -142.45 154.64 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . . . -148.93 146.63 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.41 ' HA ' HD23 ' A' ' 14' ' ' LEU . 76.4 p -118.57 172.77 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.51 -49.25 50.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -119.49 148.05 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 44.8 tt0 -50.49 -44.66 55.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -50.11 -56.45 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.05 -53.15 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.725 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 50.4 ttp180 -43.87 -64.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.598 HG22 ' OE1' ' A' ' 103' ' ' GLN . 50.7 mt -36.79 -62.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.1 mt -44.94 -45.93 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.559 ' CE2' HD11 ' A' ' 14' ' ' LEU . 71.5 m95 -65.16 -50.17 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.26 -40.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.598 ' OE1' HG22 ' A' ' 99' ' ' ILE . 56.3 mt-30 -63.33 -44.14 95.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.31 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.54 ' HB2' HG11 ' A' ' 63' ' ' VAL . 81.6 mtp -47.68 -37.56 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -51.72 -48.36 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -75.89 -40.94 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.49 -38.16 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 58' ' ' LEU . 60.1 p -75.85 -51.05 13.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.65 31.22 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.59 -176.35 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -128.45 12.74 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 114' ' ' LYS . 60.2 m-70 -106.26 60.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 113' ' ' HIS . 6.5 mtpm? -33.89 97.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 113' ' ' HIS . 53.9 Cg_endo -69.77 143.72 51.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.441 HG23 ' HD2' ' A' ' 117' ' ' PRO . 6.3 p -128.21 133.0 24.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HB2' HD23 ' A' ' 32' ' ' LEU . 28.3 mmtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.588 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 3.2 m-70 -111.65 166.89 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.3 p -174.96 127.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.61 157.05 9.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -61.58 133.04 55.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.985 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.5 mt -151.07 162.25 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -109.22 116.77 32.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -134.38 155.24 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.3 129.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.47 -171.73 13.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.61 -41.67 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -97.69 -38.69 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.677 HG23 ' CE3' ' A' ' 22' ' ' TRP . 16.6 m -113.98 158.48 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.677 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.2 m-90 46.77 33.27 2.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -39.26 -29.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -104.24 163.37 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.706 ' CE3' HD22 ' A' ' 72' ' ' LEU . 66.4 t-105 -103.94 101.97 11.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -146.73 157.36 43.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.8 ttpp -76.19 113.66 13.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 28' ' ' ARG . 15.5 ttm105 -131.47 167.56 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -82.53 116.08 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.656 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 40.4 m-85 -112.49 136.06 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.26 129.81 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 9' ' ' LYS . 32.6 tp -84.36 103.08 13.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -95.64 136.28 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.0 tt0 -89.75 101.03 13.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.92 -62.08 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -118.09 175.34 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -50.18 -41.28 49.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.9 33.38 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 m -139.19 133.05 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 15.3 m-85 -134.06 169.95 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -151.98 144.09 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.591 ' HG2' HD11 ' A' ' 58' ' ' LEU . 82.0 mmm -91.96 101.06 13.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.7 m -90.95 139.32 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.722 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.698 0.207 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -40.37 -49.72 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 12.5 mp0 -123.9 132.07 53.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 5.4 tt -134.44 113.27 11.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.84 120.65 42.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -81.43 126.21 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.803 ' O ' HG22 ' A' ' 109' ' ' THR . 9.1 mt -97.84 40.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.72 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.38 4.51 62.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-85 -60.65 146.33 45.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.44 HG23 ' CD ' ' A' ' 111' ' ' GLN . 56.0 m -124.62 96.97 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 ' HB2' ' A' ' 105' ' ' MET . 2.1 p -83.82 141.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -168.4 148.48 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 12.7 m-85 -49.85 139.24 13.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 t -145.46 160.66 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.5 156.64 91.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.77 98.44 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.46 138.41 49.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 93.35 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.69 -54.81 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.706 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.4 mt -61.39 129.18 39.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.23 68.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -169.73 91.32 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.7 155.98 9.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -93.32 -51.48 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.775 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -73.74 147.16 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 68' ' ' PRO . 30.4 m-85 -131.45 127.98 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 7.3 p90 -153.89 126.65 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -123.1 160.69 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.21 155.48 21.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.6 t -118.09 125.82 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 21.1 tptm -125.68 156.83 38.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.8 mt-10 -33.67 -60.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.58 20.14 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.93 146.69 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 m -138.88 132.97 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 90' ' ' PHE . 63.2 t -141.24 139.48 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.4 mt -110.73 147.24 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.628 ' CE1' HG12 ' A' ' 88' ' ' VAL . 23.3 m-85 -134.81 163.76 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.07 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 1.9 m -140.56 162.97 34.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -81.02 -39.2 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.12 136.44 53.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.05 -32.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -49.13 77.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.775 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 44.5 ttp180 -43.96 -58.51 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mt -46.39 -59.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.84 -48.07 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 65.4 m95 -63.26 -47.25 83.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 65' ' ' TYR . 50.4 t -57.31 -35.07 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.32 -43.08 71.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 -60.46 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.664 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.6 mtp -50.32 -34.44 23.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.13 -56.59 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.6 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.471 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -56.86 -44.19 81.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 58' ' ' LEU . 71.1 p -80.63 -44.74 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.4 24.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.44 ' CD ' HG23 ' A' ' 62' ' ' THR . 11.2 pt20 -50.61 -178.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -94.66 -38.92 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -83.95 -178.16 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -135.27 122.86 15.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.84 33.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.646 HG23 ' HD2' ' A' ' 117' ' ' PRO . 6.6 p -119.5 138.36 26.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -126.05 169.19 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.462 ' HB2' HG22 ' A' ' 31' ' ' VAL . 59.7 p -160.91 154.9 22.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.37 156.75 7.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.24 137.11 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.962 0.41 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 101' ' ' TRP . 49.9 mt -152.6 160.18 43.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -108.34 117.67 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -140.66 156.48 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.068 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.2 tt -148.72 128.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.12 -164.41 12.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -96.91 -44.69 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.01 -35.79 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG23 ' CE3' ' A' ' 22' ' ' TRP . 32.2 m -119.76 162.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.493 ' CD1' ' OE1' ' A' ' 54' ' ' GLU . 4.8 m-90 44.59 31.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -42.3 -24.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' TRP . 55.7 mtm-85 -104.86 143.99 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.8 t-105 -84.16 84.71 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -128.34 157.28 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 21.2 ttpp -87.85 117.85 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -134.52 160.94 36.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.32 104.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.8 m-85 -99.74 135.38 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 11' ' ' SER . 93.6 t -138.28 143.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.36 114.89 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.65 141.37 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 18.5 tt0 -96.13 106.88 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 -57.11 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -120.44 166.35 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -40.95 -46.32 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m-85 -122.63 39.51 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -142.75 132.29 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.47 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 14.7 m-85 -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 1.076 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -150.79 148.96 29.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.693 ' HG2' HD11 ' A' ' 58' ' ' LEU . 16.4 mmm -95.01 104.42 16.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.6 m -93.84 123.03 36.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.77 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.097 0 CA-C-O 120.76 0.233 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.42 -48.39 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' OE1' ' CD1' ' A' ' 22' ' ' TRP . 14.9 mt-10 -110.42 149.47 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.076 HD11 ' HB1' ' A' ' 41' ' ' ALA . 8.0 tp -153.04 135.99 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.73 ' N ' HD12 ' A' ' 55' ' ' LEU . 17.0 tp -129.5 110.28 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.47 117.25 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.695 ' HB3' HG22 ' A' ' 109' ' ' THR . 12.3 mt -92.16 37.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -65.24 -28.85 69.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.56 -22.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.6 m-85 -45.61 142.06 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.462 HG23 ' CB ' ' A' ' 111' ' ' GLN . 25.9 m -120.86 96.51 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.466 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.4 p -82.82 149.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -173.38 176.42 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 45.7 m-85 -79.84 136.35 36.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -149.37 153.79 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 156.63 9.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.3 Cg_endo -69.68 111.07 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.79 122.29 70.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 73' ' ' GLU . . . 168.8 -47.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 44.2 mt -66.24 140.66 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 14.9 mp0 -126.0 97.34 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.4 102.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.73 158.09 23.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -96.88 -62.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.647 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.87 147.2 43.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 52.1 m-85 -131.38 117.96 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -141.53 121.27 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -118.16 165.06 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.14 149.69 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.39 128.87 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.1 tptm -124.76 155.38 39.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.6 mm-40 -34.46 -52.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.65 17.44 3.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.35 149.37 49.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.3 m -138.56 134.41 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.538 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.5 t -144.02 139.73 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 90' ' ' PHE . 10.2 mt -110.83 153.37 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.56 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 25.6 m-85 -138.46 159.59 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.45 151.47 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 80.9 p -121.17 174.73 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.77 -23.81 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -151.98 162.87 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.58 -14.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -87.25 -49.16 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . 7.2 ptt180 -54.63 -25.84 29.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.46 -51.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.79 -43.62 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.47 ' CE2' HD11 ' A' ' 14' ' ' LEU . 53.0 m95 -72.63 -36.35 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ARG . 45.6 t -68.99 -32.92 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.19 -40.27 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.32 -49.75 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.466 ' CB ' HG11 ' A' ' 63' ' ' VAL . 96.9 mtp -59.26 -29.69 67.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -62.98 -56.86 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -64.19 -35.55 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -51.69 -48.17 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 58' ' ' LEU . 30.4 p -76.04 -47.34 25.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.55 33.61 8.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 11.8 pt20 -60.58 166.23 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.2 t -84.21 -41.44 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.493 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 61.9 t60 -91.39 112.87 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 20.1 ttmt -74.4 134.81 76.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 148.3 65.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 117' ' ' PRO . 87.9 t -134.01 138.7 31.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 111.174 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -141.16 160.19 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -156.23 141.89 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.13 152.76 6.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.67 132.45 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.789 HD11 ' CE2' ' A' ' 101' ' ' TRP . 41.9 mt -145.72 166.9 24.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -109.69 116.42 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -134.39 151.39 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -145.52 119.03 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.88 12.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -100.59 -44.77 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.34 -26.47 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.3 m -127.26 162.46 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.605 ' HZ3' HD22 ' A' ' 56' ' ' LEU . 4.9 m-90 44.2 27.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -41.0 -27.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -101.75 135.53 43.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 70.0 t-105 -79.04 100.79 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 28.8 tttm -146.21 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 43.4 tttm -78.46 106.46 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -124.07 162.34 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 22.2 t80 -70.28 120.0 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 m-85 -114.93 132.79 56.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 88.9 t -140.03 123.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -80.98 123.03 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 34' ' ' GLN . 57.5 t -118.18 155.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG3' ' CE1' ' A' ' 40' ' ' PHE . 60.1 tt0 -102.23 98.69 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 t -67.88 -64.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -118.49 170.04 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -42.68 -42.5 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -126.85 36.87 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.09 132.15 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 13.7 m-85 -132.72 161.92 32.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.843 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -147.67 149.64 32.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmm -93.13 101.15 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.8 m -91.19 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.72 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.75 0.229 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -73.22 -70.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' CD ' ' CD1' ' A' ' 22' ' ' TRP . 9.4 mt-10 -67.96 101.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 41' ' ' ALA . 3.7 tt -116.96 129.64 56.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.605 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 18.1 tp -120.41 110.98 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.48 115.53 20.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HB3' HG22 ' A' ' 109' ' ' THR . 22.4 mt -82.73 37.48 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -49.27 -48.47 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.51 16.14 3.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.953 ' O ' HG21 ' A' ' 109' ' ' THR . 7.4 m-85 -71.21 104.64 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.979 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -78.34 95.75 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.745 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.5 p -85.07 134.52 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.06 164.68 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.442 ' CE2' HG11 ' A' ' 102' ' ' VAL . 16.1 m-85 -62.91 142.13 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.4 HG21 ' CG ' ' A' ' 80' ' ' ASN . 9.8 t -151.6 150.79 30.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.37 152.51 8.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.563 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.0 Cg_endo -69.73 103.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 89' ' ' ILE . 99.1 mm-40 -49.1 139.28 12.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.44 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.45 -59.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.511 HD22 ' CD2' ' A' ' 25' ' ' TRP . 34.6 mt -54.34 116.19 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.31 38.46 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . -122.43 74.91 0.37 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.82 166.28 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -96.35 -51.63 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.809 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -74.57 143.86 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 87.4 m-85 -130.99 116.6 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.583 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.7 p90 -136.82 122.88 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' CG ' HG21 ' A' ' 66' ' ' THR . 57.2 p30 -118.72 164.3 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.64 146.09 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -106.21 129.65 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 14.7 tptp -128.09 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 53.1 mm-40 -34.37 -53.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.63 19.23 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.96 148.46 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 m -138.74 128.9 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.3 t -134.72 138.05 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 69' ' ' GLN . 16.7 mt -114.07 143.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 53.0 m-85 -129.16 164.29 23.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.52 162.13 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 2.0 m -136.75 165.89 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.28 -41.67 18.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.86 129.39 54.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -45.24 -42.05 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.54 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -52.47 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.809 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 18.1 ttp180 -41.51 -66.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ARG . 53.1 mt -37.46 -53.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.49 -41.92 63.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.789 ' CE2' HD11 ' A' ' 14' ' ' LEU . 83.2 m95 -70.14 -42.6 72.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 115' ' ' PRO . 58.8 t -64.88 -35.83 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -69.47 -43.13 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.41 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.745 ' CB ' HG11 ' A' ' 63' ' ' VAL . 93.2 mtp -48.98 -33.69 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.8 t80 -57.95 -48.5 79.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -70.56 -38.83 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.98 -40.28 69.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.953 HG21 ' O ' ' A' ' 61' ' ' TYR . 63.9 p -84.74 -45.68 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.08 10.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 9.3 pt20 -64.59 178.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -100.12 -34.43 10.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.544 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 67.6 m-70 -94.9 90.6 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 35.4 tttt -53.58 139.36 49.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.48 ' HB2' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.75 134.74 28.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.33 125.22 28.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HB2' HD23 ' A' ' 32' ' ' LEU . 10.6 mtmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -145.78 150.12 35.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -148.6 168.36 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.54 159.26 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.48 137.71 56.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 101' ' ' TRP . 89.4 mt -147.07 163.71 35.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.528 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 1.7 m95 -108.69 116.84 32.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -142.51 155.45 45.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 tt -151.08 132.37 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.28 -160.28 10.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' CE ' ' H ' ' A' ' 87' ' ' THR . 6.7 mtmp? -104.66 -33.57 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -97.83 -37.73 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.776 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -127.51 162.51 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.776 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 50.37 33.14 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -46.74 -28.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -95.48 134.0 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.523 ' CD2' HD22 ' A' ' 72' ' ' LEU . 66.6 t-105 -81.93 88.62 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -141.05 155.55 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 18.1 ttpp -75.06 122.82 24.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -134.75 156.63 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.54 109.52 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -104.53 142.85 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -143.21 123.27 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 9' ' ' LYS . 26.0 tp -82.24 103.73 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 34' ' ' GLN . 95.9 t -97.07 156.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 58.7 tt0 -103.63 113.29 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -86.09 -62.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 m -117.7 175.96 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -44.88 -49.74 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -122.29 36.46 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 m -137.66 142.43 41.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 31.6 m-85 -141.61 173.84 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.78 146.81 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.634 ' HG2' HD11 ' A' ' 58' ' ' LEU . 20.3 mmm -93.28 101.11 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.0 m -92.13 120.46 32.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -179.7 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.736 0.224 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.73 -68.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -72.16 120.18 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD21 ' HB1' ' A' ' 41' ' ' ALA . 7.0 tt -133.61 129.58 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 18.5 tp -120.06 110.32 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.49 121.46 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD11 ' HG2' ' A' ' 42' ' ' MET . 8.4 mt -91.28 34.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.29 -22.72 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.94 -26.19 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 14.6 m-85 -48.16 147.27 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.843 HG23 ' CD ' ' A' ' 111' ' ' GLN . 90.7 m -124.07 100.0 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.479 HG11 ' HB2' ' A' ' 105' ' ' MET . 2.7 p -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.86 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -72.14 130.47 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.441 HG21 ' ND2' ' A' ' 80' ' ' ASN . 9.9 t -138.28 175.06 9.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.5 154.08 78.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.2 Cg_endo -69.7 107.77 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.487 ' HG3' HD13 ' A' ' 89' ' ' ILE . 60.5 mm-40 -56.34 137.19 75.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 99.21 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.68 -60.73 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 25' ' ' TRP . 25.5 mt -60.01 133.68 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 38.3 mt-10 -118.67 -64.32 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.59 101.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.4 131.4 4.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -80.02 -49.71 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.648 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.04 148.15 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 68.8 m-85 -128.18 116.29 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -143.91 128.45 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' ND2' HG21 ' A' ' 66' ' ' THR . 29.3 p30 -126.13 163.13 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.9 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -107.29 123.4 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 18.1 tptt -120.2 154.33 35.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' LYS . 15.1 mt-10 -34.51 -53.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.97 16.51 3.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -125.84 150.6 47.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.42 ' H ' ' CE ' ' A' ' 19' ' ' LYS . 17.0 m -138.61 134.34 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 90' ' ' PHE . 25.4 t -141.68 128.42 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.487 HD13 ' HG3' ' A' ' 69' ' ' GLN . 46.9 mt -99.36 149.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 66.9 m-85 -138.46 156.49 47.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.21 165.61 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.55 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 97.5 p -137.57 164.08 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.12 -31.42 61.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -130.13 160.54 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.44 -46.82 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.99 -31.28 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.559 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -66.09 -47.48 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.648 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 46.3 ttp180 -49.65 -59.49 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.5 mt -48.17 -40.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 97' ' ' ASP . 11.9 mt -65.0 -44.49 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.628 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -68.82 -34.08 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.57 -35.05 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -74.6 -35.54 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.51 -52.28 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.479 ' HB2' HG11 ' A' ' 63' ' ' VAL . 88.2 mtp -58.95 -34.41 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.8 t80 -57.73 -55.81 30.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -61.64 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -67.36 -40.4 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 58' ' ' LEU . 8.0 p -84.13 -35.72 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.49 74.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.843 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.1 pt20 -48.07 165.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.0 t -83.43 -41.07 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -78.51 120.52 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 31.7 tttt -90.07 121.84 68.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.74 33.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 117' ' ' PRO . 4.6 p -126.0 138.78 32.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB2' HD23 ' A' ' 32' ' ' LEU . 1.1 mmmp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -132.32 153.4 50.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 p -150.46 165.7 32.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 167.25 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -80.68 137.01 36.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.649 HD11 ' CE2' ' A' ' 101' ' ' TRP . 87.2 mt -151.96 164.52 36.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -109.14 118.03 35.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.75 148.0 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.089 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tt -143.3 119.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -166.64 14.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -94.67 -47.61 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -89.92 -36.16 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.1 m -118.44 163.01 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.535 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.1 m0 45.2 38.64 3.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.97 -20.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.96 146.7 34.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.71 ' CZ3' HD13 ' A' ' 72' ' ' LEU . 69.8 t-105 -85.51 94.19 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -138.39 155.05 48.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 5.3 ttmt -90.6 118.62 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HD2' ' CD1' ' A' ' 22' ' ' TRP . 12.5 ptp180 -132.76 172.56 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -74.75 104.82 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 42.9 m-85 -98.5 130.09 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -129.67 128.9 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' A' ' 9' ' ' LYS . 18.4 tp -86.52 113.79 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.44 147.19 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 51.3 tt0 -103.18 106.27 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.73 -49.73 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -128.8 176.42 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 16.8 mt-30 -53.25 -35.87 60.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -130.24 30.32 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -133.77 134.47 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.545 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 16.6 m-85 -137.61 164.79 27.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -148.84 142.76 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.3 mmm -92.53 101.25 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.3 m -89.9 122.72 33.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.678 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.789 0.245 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.24 -50.36 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 145.91 29.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.784 HD21 ' HB1' ' A' ' 41' ' ' ALA . 6.4 tt -155.89 129.71 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 55' ' ' LEU . 16.2 tp -114.67 135.47 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -99.3 119.13 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.877 ' HB3' HG22 ' A' ' 109' ' ' THR . 36.3 mt -90.02 35.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -61.71 -28.57 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.1 -27.78 0.56 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.6 m-85 -38.24 142.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.602 HG23 ' OE1' ' A' ' 111' ' ' GLN . 91.2 m -121.13 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.1 p -83.12 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -174.0 150.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 19.1 m-85 -53.87 133.66 42.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 161.6 38.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.92 160.79 72.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.67 126.71 13.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -82.86 140.85 43.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -53.0 0.81 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.71 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 9.6 mt -74.4 128.75 36.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 74' ' ' GLY . 1.7 tm-20 -115.43 -60.55 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.46 114.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.544 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.62 143.18 14.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.67 -63.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 98' ' ' ARG . . . -58.22 148.2 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 36.5 m-85 -130.26 114.53 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 2.2 p90 -142.35 131.98 23.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 42.1 p30 -134.57 161.01 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 152.03 28.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.412 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 7.7 p -114.56 127.19 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 11.0 tptm -123.54 156.14 36.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 45.2 mm-40 -34.21 -56.77 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.04 14.06 4.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.77 144.13 50.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 53.1 m -138.01 132.29 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.443 HG12 ' CE1' ' A' ' 90' ' ' PHE . 92.5 t -138.88 139.79 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 90' ' ' PHE . 44.2 mt -108.6 157.02 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 91.6 m-85 -144.94 154.79 42.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.461 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -148.16 154.01 39.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.2 t -123.4 178.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.6 -40.32 25.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 156.16 28.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.47 -55.26 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 4.5 tm0? -56.29 -31.61 63.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.45 -10.38 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.544 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 42.8 ttp180 -78.97 -43.46 24.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 99' ' ' ILE . 5.1 mp -57.17 -37.94 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -62.43 -49.08 76.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.649 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.7 m95 -70.18 -34.5 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.505 HG11 ' CE1' ' A' ' 65' ' ' TYR . 38.2 t -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.5 -54.5 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.631 ' CB ' HG11 ' A' ' 63' ' ' VAL . 40.9 mmm -54.4 -37.24 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.4 t80 -56.05 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -62.11 -33.09 73.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -56.49 -39.72 73.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.877 HG22 ' HB3' ' A' ' 58' ' ' LEU . 17.2 p -84.54 -45.06 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.21 17.42 46.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.602 ' OE1' HG23 ' A' ' 62' ' ' THR . 10.4 pt20 -47.14 172.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.8 p -97.53 -35.27 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -85.89 103.13 14.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -70.4 121.43 83.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 153.95 68.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 117' ' ' PRO . 85.1 t -129.92 138.72 33.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.076 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.619 ' HB2' HD23 ' A' ' 32' ' ' LEU . 17.0 mmmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -128.42 156.35 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -147.43 153.44 39.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.29 149.43 5.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -60.99 140.23 57.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 101' ' ' TRP . 28.8 mt -153.15 155.76 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 5.1 m95 -98.74 116.78 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -138.22 154.72 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -153.82 121.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -176.51 18.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -88.03 -34.38 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -99.53 -38.58 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.73 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.9 m -122.83 160.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.73 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.0 m-90 52.35 28.68 5.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -39.54 -30.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -94.14 159.02 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.87 ' CD2' HD22 ' A' ' 72' ' ' LEU . 70.2 t-105 -106.69 99.41 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -146.03 155.26 42.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 7.4 ttpm? -76.14 97.33 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -113.43 149.38 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.68 119.68 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.0 m-85 -115.35 138.64 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.79 123.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.619 HD23 ' HB2' ' A' ' 9' ' ' LYS . 51.8 tp -80.39 119.7 23.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.99 150.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.6 tt0 -103.66 111.91 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 t -85.11 -52.46 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -128.23 173.56 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.714 ' NE2' ' CE1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -49.13 -39.35 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.714 ' CE1' ' NE2' ' A' ' 37' ' ' GLN . 2.9 m-85 -126.42 30.8 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.1 m -133.76 142.04 47.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 21.8 m-85 -146.29 162.1 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -144.15 146.82 32.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.418 ' HG2' HD11 ' A' ' 58' ' ' LEU . 7.5 mmm -92.61 101.81 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.3 m -103.58 121.96 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.756 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.179 0 CA-C-O 120.722 0.218 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -67.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.06 143.87 31.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.651 HD21 ' HB1' ' A' ' 41' ' ' ALA . 5.4 tt -141.42 119.91 12.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -114.87 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -86.22 122.23 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.53 ' HB3' HG22 ' A' ' 109' ' ' THR . 6.8 mt -93.37 37.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -70.76 -21.31 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.03 1.87 3.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 12.3 m-85 -75.68 148.04 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.6 m -124.2 97.96 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG11 ' CB ' ' A' ' 105' ' ' MET . 2.6 p -83.06 143.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.82 143.38 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 102' ' ' VAL . 26.3 m-85 -47.89 134.52 13.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -145.33 156.94 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 5.0 p-10 -56.37 156.46 11.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.447 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.72 102.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.544 ' HG2' HD13 ' A' ' 89' ' ' ILE . 13.9 mp0 -40.03 136.71 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.641 2.228 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.18 -58.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.87 HD22 ' CD2' ' A' ' 25' ' ' TRP . 72.4 mt -51.25 101.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.36 46.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.53 -58.23 0.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.06 -170.7 14.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.584 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 7.8 mmm180 -93.52 -71.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.699 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -64.19 141.45 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 76' ' ' ARG . 97.2 m-85 -131.41 116.3 17.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -127.65 122.66 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -115.06 153.26 31.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.44 152.4 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.0 123.76 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.7 tptm -115.8 156.37 26.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.0 mm-40 -34.3 -45.65 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.29 13.44 1.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 153.33 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 m -136.69 136.69 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.2 t -142.0 140.64 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' A' ' 69' ' ' GLN . 10.2 mt -112.6 150.15 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CE1' HG12 ' A' ' 88' ' ' VAL . 66.9 m-85 -139.67 162.76 34.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.83 174.86 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.523 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 2.8 p -147.7 170.24 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -29.81 53.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 1.2 p-10 -142.05 142.82 32.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 18.0 tt0 -47.56 -42.09 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' HA ' HD12 ' A' ' 99' ' ' ILE . 15.5 tt0 -50.22 -49.15 53.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -51.84 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.699 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 12.2 ttp180 -40.89 -42.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 96' ' ' GLN . 76.8 mt -57.93 -44.37 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.1 mt -66.05 -34.67 78.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.699 ' CE2' HD11 ' A' ' 14' ' ' LEU . 87.9 m95 -75.14 -37.42 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 98' ' ' ARG . 85.6 t -70.08 -39.25 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.48 -41.19 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.64 -55.8 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.485 ' CB ' HG11 ' A' ' 63' ' ' VAL . 94.7 mtp -54.79 -28.16 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -63.84 -58.87 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -59.8 -34.37 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.598 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -56.45 -45.98 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 58' ' ' LEU . 18.1 p -79.65 -43.8 22.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.97 35.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 10.3 pt20 -48.28 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -93.04 -40.79 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 93.5 m-70 -91.97 99.91 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 64.2 tttt -61.44 137.23 94.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 155.84 64.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.471 HG13 ' HD2' ' A' ' 117' ' ' PRO . 91.2 t -139.53 133.64 15.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 116' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HB2' HD23 ' A' ' 32' ' ' LEU . 2.8 mptt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -137.2 162.81 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' HG22 ' A' ' 31' ' ' VAL . 60.0 p -162.8 169.11 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.97 149.76 5.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -60.51 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.945 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 101' ' ' TRP . 36.2 mt -138.85 153.51 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.2 m95 -99.0 117.6 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -137.14 151.98 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.9 tt -151.35 123.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.02 -168.96 13.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -92.43 -35.37 13.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.3 -38.59 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.609 HG23 ' CE3' ' A' ' 22' ' ' TRP . 23.9 m -118.8 162.99 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.609 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 46.83 30.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -39.57 -27.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.0 tpm_? -101.05 151.68 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.9 t-105 -94.66 89.94 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 5.5 tppt? -134.09 155.07 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 19.4 tttt -81.86 103.18 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -113.67 164.5 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -80.05 97.94 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 26.2 m-85 -91.69 135.59 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' ' 11' ' ' SER . 96.9 t -134.04 130.37 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 9' ' ' LYS . 42.8 tp -79.42 120.06 23.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.0 t -116.22 146.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 48.7 tt0 -98.91 102.29 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -70.58 -58.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 -175.77 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -55.74 -38.07 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.71 35.36 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.5 m -139.28 142.64 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 28.0 m-85 -142.94 165.64 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.86 144.98 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 75.1 mmm -92.64 101.12 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.3 m -92.88 130.45 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.76 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.733 0.222 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -74.95 -75.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -76.5 128.52 34.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.751 HD21 ' HB1' ' A' ' 41' ' ' ALA . 4.7 tt -140.5 115.43 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 13.3 tp -107.71 120.8 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -87.91 121.61 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.854 ' HB3' HG22 ' A' ' 109' ' ' THR . 18.3 mt -86.54 34.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.57 -58.53 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -115.85 -22.26 4.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 28.0 m-85 -34.97 143.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.63 HG23 ' OE1' ' A' ' 111' ' ' GLN . 13.1 m -124.75 100.03 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 105' ' ' MET . 5.6 p -82.91 137.98 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -164.96 151.84 10.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -53.86 135.8 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 t -145.04 171.2 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.46 159.32 77.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 121.23 7.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -66.62 142.16 97.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.95 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.92 -58.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.69 118.71 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.53 40.38 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.06 100.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.5 163.76 24.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 17.3 ptm180 -96.71 -49.64 5.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.11 143.06 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 47.4 m-85 -127.15 109.87 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -130.57 122.36 27.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -123.55 157.3 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.14 152.06 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 6.0 p -114.77 127.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.3 tptm -117.99 157.01 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' LYS . 63.5 mm-40 -33.43 -52.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.05 15.6 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.78 150.32 49.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -138.69 128.7 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.424 HG12 ' CE1' ' A' ' 90' ' ' PHE . 38.3 t -134.14 139.31 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.03 150.39 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE1' HG12 ' A' ' 88' ' ' VAL . 53.9 m-85 -139.78 157.27 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -147.19 160.18 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.7 p -133.37 161.09 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.43 -34.21 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -117.92 147.87 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -60.92 -52.7 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -47.33 -45.81 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -48.42 -54.45 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.727 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 41.3 ttp180 -42.04 -58.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.3 mt -49.5 -52.64 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 97' ' ' ASP . 38.5 mt -51.52 -49.69 61.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.674 ' CE2' HD11 ' A' ' 14' ' ' LEU . 77.6 m95 -65.26 -36.51 84.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 98' ' ' ARG . 55.8 t -68.76 -34.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -72.2 -40.76 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.11 -53.76 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.656 ' HB2' HG11 ' A' ' 63' ' ' VAL . 94.5 mtp -56.73 -32.82 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.6 t80 -59.54 -60.91 3.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -60.78 -32.8 72.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -57.26 -45.68 83.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.854 HG22 ' HB3' ' A' ' 58' ' ' LEU . 16.0 p -78.95 -43.56 24.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.09 31.68 22.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.63 ' OE1' HG23 ' A' ' 62' ' ' THR . 5.5 pt20 -54.77 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -101.66 -38.0 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -92.78 109.38 20.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.8 tttt -70.35 131.52 88.39 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.05 46.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.388 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 117' ' ' PRO . 58.3 t -129.45 133.41 25.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 116' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.721 ' HB2' HD23 ' A' ' 32' ' ' LEU . 18.4 mmtm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 101' ' ' TRP . 23.7 m-70 -139.92 131.89 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -138.9 144.86 39.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.78 165.3 14.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.56 136.25 56.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.5 mt -153.14 144.42 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 7.1 m95 -91.67 116.36 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.602 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.51 154.67 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 tt -150.14 129.73 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.53 -177.85 15.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -87.15 -44.09 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -94.28 -32.08 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.754 HG23 ' CE3' ' A' ' 22' ' ' TRP . 12.0 m -127.12 154.05 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.754 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 55.6 31.87 18.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -45.87 -27.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -98.49 142.59 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CD2' HD22 ' A' ' 72' ' ' LEU . 71.0 t-105 -88.74 95.41 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 78.5 tttt -140.85 156.9 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 16.3 ttmt -83.86 117.13 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -134.92 157.2 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.67 120.26 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -113.09 138.92 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.61 133.53 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' HB2' ' A' ' 9' ' ' LYS . 41.6 tp -88.29 105.18 17.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG2' ' SG ' ' A' ' 43' ' ' CYS . 60.6 t -101.44 135.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.554 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 36.4 tt0 -91.68 95.43 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -65.06 -61.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -116.26 168.15 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -50.68 -29.23 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -133.21 25.71 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -137.42 132.37 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 12.5 m-85 -129.97 169.1 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.79 145.35 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.514 ' HG2' HD11 ' A' ' 58' ' ' LEU . 33.1 mmm -92.04 103.27 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' CG2' ' A' ' 33' ' ' VAL . 1.9 m -95.54 117.26 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.68 0.2 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -92.09 -30.04 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -127.66 110.28 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 41' ' ' ALA . 8.6 tt -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 25.4 tp -119.77 110.73 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.36 122.63 24.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 109' ' ' THR . 13.8 mt -91.48 37.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.66 -32.2 69.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' C ' ' HD2' ' A' ' 83' ' ' LYS . . . -128.42 14.54 6.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -89.86 144.06 26.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.823 HG23 ' CD ' ' A' ' 111' ' ' GLN . 97.5 m -121.28 96.34 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.669 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.3 p -82.82 143.96 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -168.47 169.92 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' ' C ' ' A' ' 116' ' ' VAL . 10.1 m-85 -73.62 134.76 43.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -147.19 154.54 41.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.9 159.54 19.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.537 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.78 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -63.13 142.76 97.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.76 2.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -65.75 0.59 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 25' ' ' TRP . 61.8 mt -51.18 111.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.299 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 2.8 pm0 -109.24 37.68 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.66 125.27 5.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.34 160.09 18.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -93.7 -49.65 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.927 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -74.21 148.77 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 38.5 m-85 -131.45 111.48 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -135.6 119.96 17.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -117.94 159.7 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.75 144.83 43.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.1 t -105.95 134.09 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 18.8 tptm -126.18 153.83 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 23.7 mt-10 -34.0 -49.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.25 16.77 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.07 152.36 47.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -138.69 132.02 30.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.9 t -139.53 139.03 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 mt -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.602 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 88.0 m-85 -140.84 159.32 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . . . -147.61 159.41 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -130.67 174.88 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -31.0 56.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -145.98 154.09 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.16 -51.28 67.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -46.38 -23.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.59 -39.3 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.927 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 31.1 ttp180 -53.23 -43.55 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mt -53.65 -55.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.0 mt -49.04 -38.95 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 10' ' ' HIS . 55.4 m95 -72.52 -47.74 46.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.41 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 49.7 t -55.07 -50.6 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -53.05 -49.08 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.46 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.669 ' CB ' HG11 ' A' ' 63' ' ' VAL . 88.2 mtp -46.2 -27.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -67.79 -60.72 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -59.56 -38.55 81.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.99 -51.89 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 58' ' ' LEU . 6.8 p -75.1 -46.32 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.53 26.08 21.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.823 ' CD ' HG23 ' A' ' 62' ' ' THR . 3.4 pt20 -52.71 176.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.9 m -101.47 -38.27 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -81.18 89.86 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 7.0 ttpt -56.86 126.89 73.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 136.05 31.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.742 2.294 . . . . 0.0 112.296 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.489 ' C ' ' CE2' ' A' ' 65' ' ' TYR . 93.2 t -121.62 123.62 27.45 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.744 ' HB2' HD23 ' A' ' 32' ' ' LEU . 43.7 mmtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -159.7 131.37 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.401 ' HB2' HG22 ' A' ' 31' ' ' VAL . 87.6 p -126.79 151.79 47.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.8 152.36 6.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -62.52 122.39 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.389 . . . . 0.0 110.952 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 101' ' ' TRP . 80.1 mt -139.22 159.43 42.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 3.0 m95 -104.27 122.14 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -141.45 148.56 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 tt -148.63 123.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.16 -161.24 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -99.52 -44.48 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.56 -40.88 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.68 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.5 m -120.92 160.88 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 50.19 31.37 5.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.54 -27.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -100.83 150.44 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.631 ' CE3' HD22 ' A' ' 72' ' ' LEU . 74.9 t-105 -88.57 86.4 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -126.83 156.51 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 15' ' ' TRP . 30.7 ttpt -99.16 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.577 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 18.2 ptp180 -133.26 168.82 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.51 115.84 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 42.9 m-85 -111.46 125.4 53.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 11' ' ' SER . 93.4 t -119.62 133.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.744 HD23 ' HB2' ' A' ' 9' ' ' LYS . 41.8 tp -83.92 114.73 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' SG ' ' A' ' 43' ' ' CYS . 15.6 t -106.51 145.44 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 61.3 tt0 -102.15 88.16 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -53.06 -54.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 m -142.47 -175.24 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 7.1 tp-100 -43.76 -62.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 1.7 m-85 -111.65 41.72 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 m -142.16 135.27 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.759 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 22.2 m-85 -140.55 165.03 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.614 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -148.82 144.68 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.411 ' HG2' HD11 ' A' ' 58' ' ' LEU . 9.8 mmm -92.32 112.04 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.696 ' SG ' HG23 ' A' ' 33' ' ' VAL . 1.3 p -100.94 119.53 38.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 28' ' ' ARG . 91.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.723 0.218 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.09 -66.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.87 111.46 12.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 41' ' ' ALA . 9.7 tt -125.14 129.29 49.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 15.0 tp -110.15 134.71 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -97.02 118.3 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.689 ' HB3' HG22 ' A' ' 109' ' ' THR . 8.0 mt -90.36 35.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -37.35 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -123.31 -30.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.626 ' O ' HG21 ' A' ' 109' ' ' THR . 10.4 m-85 -34.61 142.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.714 HG23 ' CD ' ' A' ' 111' ' ' GLN . 51.5 m -124.17 95.71 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.182 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG11 ' CB ' ' A' ' 105' ' ' MET . 2.6 p -83.46 142.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -167.49 167.56 13.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 25.8 m-85 -66.32 124.2 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -133.81 169.16 17.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.88 159.35 81.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.74 117.19 4.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.26 137.56 81.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.39 -60.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.631 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.7 mt -64.78 119.05 9.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.4 mt-10 -103.62 -59.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.416 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -35.6 101.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.12 151.9 10.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -96.52 -52.38 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' A' ' 98' ' ' ARG . . . -80.49 155.48 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 86.8 m-85 -130.6 132.6 45.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -151.53 119.2 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -118.23 160.89 20.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.05 148.76 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.9 t -107.37 123.07 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 13.1 tptm -121.16 155.14 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.3 mm-40 -34.38 -55.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.22 18.71 3.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.06 147.0 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 m -137.86 122.5 18.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 90' ' ' PHE . 48.4 t -130.09 132.33 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.2 mt -105.25 141.9 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 50.2 m-85 -128.91 156.19 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.65 153.76 43.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 p -122.69 173.73 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -92.23 -37.19 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 168.57 9.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.69 -31.79 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -59.57 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -45.45 -36.77 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.668 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 19.1 ttt180 -49.74 -69.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.464 ' N ' ' HG2' ' A' ' 98' ' ' ARG . 12.4 mt -43.7 -46.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.7 -45.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.531 ' CE2' HD11 ' A' ' 14' ' ' LEU . 61.8 m95 -66.23 -44.35 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.29 -43.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.55 -60.9 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.632 ' CB ' HG11 ' A' ' 63' ' ' VAL . 90.8 mtp -47.78 -32.42 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -61.84 -53.89 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -64.25 -33.66 76.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.759 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.44 -56.59 15.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.689 HG22 ' HB3' ' A' ' 58' ' ' LEU . 19.5 p -71.72 -41.39 68.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.12 30.7 30.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.714 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.3 pt20 -54.28 174.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.2 p -91.94 -41.67 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -88.59 104.93 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -70.29 135.23 86.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.81 144.56 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.591 HG13 ' HD2' ' A' ' 117' ' ' PRO . 59.9 t -130.83 137.45 30.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.677 0.751 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.591 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.716 ' HB2' HD23 ' A' ' 32' ' ' LEU . 15.5 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -172.04 131.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 p -121.45 155.43 34.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.76 151.38 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -66.8 140.29 57.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.868 HD11 ' CE2' ' A' ' 101' ' ' TRP . 23.3 mt -149.98 160.13 43.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.8 m95 -103.93 116.84 33.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.691 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.92 152.96 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -147.65 125.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.21 -177.17 15.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -91.18 -29.07 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -102.22 -33.28 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.786 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.2 m -133.12 153.49 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.786 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.8 m0 62.79 27.17 15.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' TRP . 22.1 mmmt -35.53 -39.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -92.66 141.15 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.89 ' CD2' HD22 ' A' ' 72' ' ' LEU . 61.1 t-105 -83.48 92.18 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -135.96 156.67 48.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HD3' ' CE2' ' A' ' 15' ' ' TRP . 24.3 ttpp -83.96 120.76 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -133.5 145.31 50.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.22 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 15.6 m-85 -91.26 135.6 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.6 t -132.97 124.82 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 9' ' ' LYS . 28.1 tp -81.81 106.37 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.56 139.0 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -96.3 99.78 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.61 -53.31 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 m -132.08 -176.54 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.65 -44.76 73.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -122.03 33.72 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 6.6 m -137.62 138.89 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 35.5 m-85 -143.73 166.16 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.909 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.29 146.07 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.471 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 43.8 mmm -93.36 101.32 13.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -94.47 119.58 33.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.742 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.714 0.214 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -49.28 -56.96 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -103.4 138.91 39.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.909 HD11 ' HB1' ' A' ' 41' ' ' ALA . 7.8 tp -140.35 128.92 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.615 ' N ' HD12 ' A' ' 55' ' ' LEU . 22.0 tp -124.3 106.82 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -70.55 137.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.671 ' HB3' HG22 ' A' ' 109' ' ' THR . 8.9 mt -101.72 35.96 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.64 43.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.63 -29.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -49.87 134.89 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.941 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.483 HG23 ' CB ' ' A' ' 111' ' ' GLN . 31.6 m -111.29 99.8 8.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.79 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.7 p -86.7 142.36 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.44 135.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.462 ' CE1' HG21 ' A' ' 102' ' ' VAL . 34.2 m-85 -42.07 120.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.596 HG21 ' ND2' ' A' ' 80' ' ' ASN . 7.0 t -127.03 166.32 17.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -60.2 155.89 42.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.76 133.37 25.39 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.819 ' HG2' HD13 ' A' ' 89' ' ' ILE . 5.3 mp0 -79.48 135.97 56.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.51 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.32 -50.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.89 HD22 ' CD2' ' A' ' 25' ' ' TRP . 23.8 mt -65.01 119.64 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 49.4 mt-10 -127.21 -29.29 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.98 -45.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.54 162.36 12.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -85.97 -69.61 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.892 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.01 154.67 18.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 57.5 m-85 -131.45 113.17 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.52 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.2 p90 -138.43 120.72 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.596 ' ND2' HG21 ' A' ' 66' ' ' THR . 39.9 p30 -120.29 161.66 20.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.16 141.64 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.76 128.29 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.3 tptp -121.99 155.55 35.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 32.4 mm-40 -34.44 -53.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.66 15.73 3.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -126.26 149.09 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -138.34 133.84 33.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.763 HG12 ' CE1' ' A' ' 90' ' ' PHE . 92.1 t -142.98 130.83 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.819 HD13 ' HG2' ' A' ' 69' ' ' GLN . 15.3 mt -103.99 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.763 ' CE1' HG12 ' A' ' 88' ' ' VAL . 45.5 m-85 -132.69 161.18 34.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.13 163.7 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -135.51 159.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.85 -49.54 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -130.16 152.36 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 22.5 tt0 -53.73 -56.59 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -46.09 -21.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -80.58 -57.39 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.892 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 7.2 ptt180 -48.3 -25.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.33 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.657 ' H ' HD12 ' A' ' 100' ' ' LEU . 5.9 mp -52.41 -38.35 58.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.868 ' CE2' HD11 ' A' ' 14' ' ' LEU . 40.9 m95 -68.71 -46.77 68.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 98' ' ' ARG . 88.0 t -60.49 -43.12 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.11 -42.95 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.98 -54.67 12.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.79 ' HB2' HG11 ' A' ' 63' ' ' VAL . 33.1 mmm -53.86 -36.53 62.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.0 t80 -59.13 -57.45 12.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -64.29 -39.93 94.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -55.04 -43.68 74.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.671 HG22 ' HB3' ' A' ' 58' ' ' LEU . 28.9 p -80.72 -45.1 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.64 35.44 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.483 ' CB ' HG23 ' A' ' 62' ' ' THR . 4.0 pt20 -59.65 177.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.8 p -91.13 -42.77 10.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -89.87 110.91 21.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.6 tttm -74.27 138.23 75.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 114' ' ' LYS . 54.0 Cg_endo -69.76 149.55 67.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.9 126.55 21.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.78 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -142.94 154.84 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.61 ' HB2' HG22 ' A' ' 31' ' ' VAL . 56.9 p -148.57 165.7 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.13 162.96 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.38 137.85 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.636 HD11 ' CE2' ' A' ' 101' ' ' TRP . 83.2 mt -153.22 160.25 42.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.522 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.0 m95 -108.43 121.76 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.713 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -144.6 158.65 43.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tt -153.4 124.93 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.74 -161.41 11.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -102.53 -35.26 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.02 -34.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.762 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.9 m -131.23 153.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.762 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.5 m-90 59.49 35.37 22.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -33.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -99.65 157.04 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 65.9 t-105 -95.03 86.81 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 157.3 42.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 25.2 ttpt -85.43 115.73 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -128.05 169.25 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -75.0 99.29 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.713 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 25.1 m-85 -92.56 118.61 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 11' ' ' SER . 89.8 t -123.53 123.58 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 9' ' ' LYS . 64.7 tp -79.3 103.56 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.72 147.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.4 tt0 -104.03 97.91 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.38 -52.27 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 p -133.86 -175.03 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -52.82 -61.74 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 1.1 m-85 -108.71 38.64 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 m -142.74 133.56 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.716 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 19.0 m-85 -138.68 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 1.033 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.14 148.63 28.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.594 ' HG2' HD11 ' A' ' 58' ' ' LEU . 83.8 mmm -96.2 102.77 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -94.0 126.86 39.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.75 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.74 0.225 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.21 -41.31 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -122.57 135.33 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.033 HD11 ' HB1' ' A' ' 41' ' ' ALA . 20.4 tp -136.48 136.8 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.52 ' H ' HD12 ' A' ' 55' ' ' LEU . 17.7 tp -134.69 106.99 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.94 124.05 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.594 HD11 ' HG2' ' A' ' 42' ' ' MET . 2.1 mt -98.84 38.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.59 -33.9 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.18 -4.01 7.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 83' ' ' LYS . 38.7 m-85 -69.66 144.92 52.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.655 HG23 ' CD ' ' A' ' 111' ' ' GLN . 87.4 m -121.39 99.15 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.501 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.9 p -83.31 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.4 p30 -159.16 167.81 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 52.1 m-85 -69.74 127.49 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.545 HG21 ' ND2' ' A' ' 80' ' ' ASN . 14.3 t -137.09 155.51 49.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.15 159.85 19.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.5 Cg_endo -69.76 123.72 10.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -72.12 137.74 81.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 93.14 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.92 -49.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 ' CD2' ' A' ' 25' ' ' TRP . 16.5 mt -71.6 115.96 11.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.9 tt0 -101.95 -64.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.35 114.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.99 138.46 9.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.49 -64.19 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.87 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -65.01 139.41 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 54.0 m-85 -120.05 111.22 17.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.6 p90 -135.21 127.34 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.545 ' ND2' HG21 ' A' ' 66' ' ' THR . 45.2 p30 -127.99 161.86 28.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.06 153.25 34.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.504 HG12 ' HB ' ' A' ' 62' ' ' THR . 14.6 p -116.15 138.79 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 21.5 tptm -128.38 157.03 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 83' ' ' LYS . 5.4 mm-40 -33.0 -49.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.82 15.81 2.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 150.49 49.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.0 m -138.83 131.25 28.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.606 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.0 t -135.57 142.57 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 90' ' ' PHE . 32.6 mt -111.79 152.38 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.606 ' CE1' HG12 ' A' ' 88' ' ' VAL . 58.7 m-85 -142.77 158.4 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -148.81 163.29 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 41.5 p -137.2 170.96 15.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.59 -47.2 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.01 155.98 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.58 -34.99 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -58.97 -37.93 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 100' ' ' LEU . 20.3 m-20 -60.53 -49.79 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.87 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 19.4 ttp180 -43.99 -45.16 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.6 mt -66.67 -40.33 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 97' ' ' ASP . 44.3 mt -64.71 -33.64 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.636 ' CE2' HD11 ' A' ' 14' ' ' LEU . 79.6 m95 -84.02 -38.12 21.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 98' ' ' ARG . 40.2 t -66.65 -40.85 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -67.67 -46.42 72.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.41 -52.0 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.501 ' CB ' HG11 ' A' ' 63' ' ' VAL . 94.4 mtp -58.11 -33.52 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -57.09 -59.02 5.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -57.53 -40.58 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -50.91 -50.68 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 58' ' ' LEU . 11.7 p -74.43 -41.27 61.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.07 29.68 45.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.655 ' CD ' HG23 ' A' ' 62' ' ' THR . 3.6 pt20 -54.12 168.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.5 m -80.5 -43.16 21.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -78.07 173.53 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -129.31 130.04 23.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.5 ' HB2' ' CG1' ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.8 129.65 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.628 HG23 ' HD2' ' A' ' 117' ' ' PRO . 7.6 p -118.52 138.01 25.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.628 ' HD2' HG23 ' A' ' 116' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -63.9 165.78 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -58.14 -47.87 82.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.81 -148.61 18.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -166.49 121.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -71.21 171.08 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.8 139.92 3.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 mtp -116.07 136.07 53.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.697 ' HB2' HD23 ' A' ' 32' ' ' LEU . 18.4 mmmt -113.06 -47.73 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -156.6 134.0 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -127.89 155.02 44.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.86 152.09 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -64.82 140.41 58.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.1 mt -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.0 m95 -103.02 117.94 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -145.71 148.7 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.17 125.62 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.74 -159.93 11.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -102.72 -43.7 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -93.5 -31.35 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG23 ' CE3' ' A' ' 22' ' ' TRP . 21.8 m -126.31 166.59 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.577 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.9 m-90 43.64 31.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -38.34 -38.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 151.14 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.489 ' CD2' HD22 ' A' ' 72' ' ' LEU . 50.6 t-105 -99.39 94.1 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 37.3 tttm -145.86 155.43 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.6 ttpp -67.7 106.94 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -126.02 155.93 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.29 139.61 56.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.5 m-85 -139.29 129.8 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.05 126.75 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD23 ' HB2' ' A' ' 9' ' ' LYS . 24.3 tp -85.25 109.53 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 34' ' ' GLN . 54.4 t -105.84 155.39 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.5 tt0 -104.12 105.94 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.41 -57.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -124.25 168.44 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 9.6 mt-30 -40.63 -42.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.5 38.11 4.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.85 131.72 24.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.699 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 6.6 m-85 -131.81 165.85 22.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.6 149.57 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.05 102.8 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 19.4 m -95.53 120.74 36.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -98.36 93.91 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 45.5 m-85 -88.83 92.1 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -87.46 -33.71 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.52 170.98 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -105.02 96.78 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 71.83 48.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.63 173.54 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.95 151.72 63.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.9 61.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -60.53 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -109.49 147.43 32.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.995 HD11 ' HB1' ' A' ' 41' ' ' ALA . 5.5 tp -149.24 134.37 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.797 ' N ' HD12 ' A' ' 55' ' ' LEU . 16.4 tp -132.33 108.44 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -67.68 124.35 23.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 109' ' ' THR . 45.2 mt -85.09 31.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 17.8 p-10 -78.86 76.88 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . 125.51 -41.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.1 m-85 -37.43 135.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 0.0 110.952 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.7 m -110.41 94.09 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.7 p -83.31 136.1 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -164.58 151.39 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.24 130.23 41.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 t -140.68 149.88 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.87 157.72 7.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.3 Cg_endo -69.78 107.83 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -62.94 142.75 97.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.82 -61.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 89' ' ' ILE . 34.9 mt -56.28 106.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -119.63 64.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.14 -63.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.03 179.02 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -82.89 -69.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.748 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -55.55 144.87 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.9 m-85 -128.82 129.35 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -155.56 121.65 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -119.59 156.6 30.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 61' ' ' TYR . . . -108.43 135.19 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.84 127.46 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 15.4 tptm -125.26 155.97 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.51 -55.27 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.87 15.47 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -126.61 143.57 51.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.4 m -138.72 122.75 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.7 t -129.85 140.78 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.639 HD13 HD11 ' A' ' 72' ' ' LEU . 11.3 mt -108.28 153.31 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.463 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 73.6 m-85 -140.06 150.16 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.41 149.03 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.467 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 67.0 p -122.54 -178.32 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -82.11 -32.17 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 3.4 p-10 -133.99 162.61 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 19.9 tt0 -73.35 -32.28 64.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.29 -46.76 85.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.88 -50.19 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.748 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 23.7 ttp180 -42.01 -56.32 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.7 mt -48.42 -52.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.35 -29.95 62.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.708 ' CE2' HD11 ' A' ' 14' ' ' LEU . 44.7 m95 -79.49 -42.86 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.15 -42.5 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -59.14 -40.24 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.2 -57.9 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.774 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.8 mmm -51.25 -39.71 57.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 6.7 t80 -52.16 -53.58 41.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -66.35 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.67 -41.45 70.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 61' ' ' TYR . 29.8 p -84.65 -45.05 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.43 36.61 16.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 8.4 pt20 -60.56 172.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.882 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -88.25 -42.2 12.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.529 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 54.2 m-70 -89.18 103.38 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 74.8 tttt -67.77 135.64 92.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.55 65.43 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.503 HG23 ' HD2' ' A' ' 117' ' ' PRO . 14.9 p -138.44 136.8 19.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.6 Cg_endo -69.81 127.24 14.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.4 t -130.82 37.81 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -86.92 89.77 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 t -41.37 -61.63 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 160.42 83.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.72 6.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.6 m -123.58 137.43 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -83.65 155.06 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -99.07 140.41 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -81.88 -48.56 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.33 82.8 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -137.05 145.84 44.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -91.91 143.89 26.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.6 70.76 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 mtt -96.27 120.88 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -99.17 -55.76 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.55 125.58 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -121.13 130.1 53.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.98 163.92 29.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -76.54 131.3 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 110.966 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD11 ' CE2' ' A' ' 101' ' ' TRP . 95.7 mt -146.33 158.68 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 4.6 m95 -100.8 121.53 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.1 147.88 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -146.12 125.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.92 -175.96 14.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -82.71 -52.01 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.301 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -87.81 -35.46 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.6 m -117.98 154.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.7 m-90 50.14 34.57 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -43.31 -23.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 22' ' ' TRP . 14.3 ttp180 -112.36 150.13 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 72' ' ' LEU . 73.4 t-105 -85.17 89.19 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -124.2 155.98 37.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 22.1 ttpp -97.27 107.25 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -128.75 169.62 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -71.33 128.22 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.7 m-85 -119.61 142.69 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -140.71 125.92 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -79.74 100.4 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.69 150.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 tt0 -104.99 98.41 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 t -62.79 -55.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 m -128.79 -176.05 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 28.4 mm100 -56.89 -45.0 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -117.98 24.76 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 3.9 m -130.4 144.33 51.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.481 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.5 m-85 -144.12 160.44 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 1.003 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -145.53 147.63 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.406 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 40.2 mmm -94.54 102.79 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.618 ' SG ' HD13 ' A' ' 55' ' ' LEU . 89.0 m -99.78 130.47 45.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.9 p -113.21 113.99 26.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -102.22 136.66 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.23 -30.78 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -124.72 165.42 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -51.68 68.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -114.56 97.2 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -174.08 163.89 4.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.4 150.0 50.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.639 0.733 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -48.08 -47.59 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -114.87 146.61 40.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.003 HD11 ' HB1' ' A' ' 41' ' ' ALA . 15.4 tp -152.01 141.47 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 55' ' ' LEU . 19.4 tp -132.45 110.01 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -78.47 121.2 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.726 ' HB3' HG22 ' A' ' 109' ' ' THR . 21.7 mt -85.78 33.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.97 -52.8 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.03 22.1 4.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.645 ' O ' HG21 ' A' ' 109' ' ' THR . 15.2 m-85 -75.69 142.46 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.648 HG23 ' CD ' ' A' ' 111' ' ' GLN . 17.0 m -117.39 100.63 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 105' ' ' MET . 4.7 p -89.23 132.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.486 ' OD2' HG22 ' A' ' 62' ' ' THR . 1.4 m-20 -156.67 157.96 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 11.8 m-85 -64.34 136.07 56.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.408 HG21 ' ND2' ' A' ' 80' ' ' ASN . 13.1 t -147.72 166.13 28.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 155.12 85.02 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.75 107.43 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.537 ' OE1' HD12 ' A' ' 72' ' ' LEU . 15.9 mp0 -53.63 139.18 50.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.726 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.7 -60.72 0.67 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.602 HD22 ' CE3' ' A' ' 25' ' ' TRP . 34.3 mt -52.15 111.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -113.7 72.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.465 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -166.51 96.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.27 15.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -90.74 -60.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.766 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -75.65 150.2 38.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 73.4 m-85 -131.33 108.02 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 13.9 p90 -125.04 122.16 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HB3' HG23 ' A' ' 89' ' ' ILE . 36.3 p30 -117.94 158.76 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.62 153.51 32.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.444 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 3.9 p -118.19 136.15 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.5 tptm -125.85 156.74 39.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 14.2 mt-10 -34.05 -51.9 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.14 14.11 3.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.03 150.47 49.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.7 m -138.67 137.98 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 90' ' ' PHE . 33.2 t -142.53 148.64 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.531 HG21 ' OE1' ' A' ' 69' ' ' GLN . 11.6 mt -122.22 140.17 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 24.7 m-85 -130.72 159.42 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.92 156.78 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.4 p -126.55 163.92 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -69.4 -44.73 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.95 147.52 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.416 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 3.4 tm-20 -46.89 -57.03 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -44.75 -47.96 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -50.5 -52.06 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.766 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 33.9 ttp180 -47.4 -61.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -38.23 -58.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -45.94 -39.53 8.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.755 ' CE2' HD11 ' A' ' 14' ' ' LEU . 60.1 m95 -75.48 -49.66 18.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.423 HG11 ' CE1' ' A' ' 65' ' ' TYR . 39.6 t -52.87 -51.53 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -53.56 -51.72 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.66 ' HB2' HG11 ' A' ' 63' ' ' VAL . 87.2 mtp -46.28 -33.23 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -60.07 -60.35 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -59.28 -35.28 73.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.27 -47.66 68.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.726 HG22 ' HB3' ' A' ' 58' ' ' LEU . 4.9 p -79.84 -42.09 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.39 27.38 39.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.648 ' CD ' HG23 ' A' ' 62' ' ' THR . 14.0 pt20 -50.5 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -95.34 -41.84 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.52 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 19.3 m-70 -85.94 109.94 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 19.0 ttpt -71.19 131.33 87.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 143.2 50.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.669 HG13 ' HD2' ' A' ' 117' ' ' PRO . 87.7 t -127.34 138.6 33.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.669 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.74 138.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.18 25.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.3 p -132.51 84.06 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -49.69 105.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.2 p -146.2 140.52 26.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -116.19 160.92 13.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.11 25.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m 55.85 42.09 29.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.8 m -122.08 -60.24 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.517 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -100.37 98.54 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -133.3 113.22 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.89 -151.35 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -43.72 151.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m 41.48 45.93 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.03 -41.19 95.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.0 mtm -84.38 127.34 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -89.09 -58.1 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 6.0 t-80 -131.5 136.86 48.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -135.45 135.8 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.52 165.99 20.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 91.3 m-85 -74.62 142.39 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.953 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 91' ' ' ALA . 60.2 mt -154.34 159.91 41.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.525 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.3 m95 -107.86 119.85 40.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -142.45 157.12 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.11 123.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.05 12.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -102.21 -40.7 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -95.26 -39.71 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.7 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.4 m -116.28 168.7 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.7 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 41.67 38.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -55.9 -15.4 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 124.99 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.471 ' CD2' HD22 ' A' ' 72' ' ' LEU . 74.5 t-105 -71.83 100.25 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -146.55 155.89 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 47.3 tttt -78.4 102.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -118.12 168.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.55 121.99 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 48.1 m-85 -115.63 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -133.43 129.55 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.21 105.75 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 34' ' ' GLN . 59.7 t -98.48 153.62 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 65.1 tt0 -104.7 112.92 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -84.16 -58.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -124.07 -179.25 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 12.7 tp60 -46.53 -50.84 16.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 4.2 m-85 -122.13 39.34 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.41 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 4.1 m -138.65 138.57 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 19.5 m-85 -140.26 172.11 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.34 149.25 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.575 ' HG2' HD11 ' A' ' 58' ' ' LEU . 34.6 mmm -95.34 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -92.29 128.02 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -104.0 84.95 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -73.36 150.33 41.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -120.72 -27.66 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.3 tp10 -148.83 139.48 22.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 12.9 pttm -41.37 -41.74 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 14.6 mtpp -85.57 -54.63 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 47' ' ' GLU . . . -47.29 141.8 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.82 152.4 44.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 116.23 4.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -79.27 -72.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -66.33 111.99 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' A' ' 41' ' ' ALA . 2.5 tt -127.26 122.54 34.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 61' ' ' TYR . 17.7 tp -113.09 119.48 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -83.9 129.29 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.665 ' HB3' HG22 ' A' ' 109' ' ' THR . 4.2 mt -98.01 33.87 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.62 -29.97 66.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -128.85 -32.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 8.4 m-85 -34.53 141.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.71 HG23 ' CD ' ' A' ' 111' ' ' GLN . 85.4 m -119.03 95.15 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.762 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.0 p -82.8 138.57 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -163.64 164.08 24.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE1' HG11 ' A' ' 102' ' ' VAL . 24.8 m-85 -66.59 129.5 40.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -141.18 159.5 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.36 157.73 80.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 115.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.761 2.307 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -61.64 134.48 93.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.72 -53.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 25' ' ' TRP . 33.0 mt -61.24 131.54 50.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -121.16 39.79 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.63 137.11 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.45 163.45 2.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -92.66 -69.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.859 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.95 148.46 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 77.8 m-85 -129.19 112.15 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 3.3 p90 -133.47 130.37 38.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 45.0 p30 -127.3 167.89 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.96 147.18 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -107.37 127.78 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 9.6 tptm -126.97 156.07 42.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.45 -54.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.59 19.03 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.83 146.41 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 m -138.38 126.23 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.594 HG12 ' CE1' ' A' ' 90' ' ' PHE . 46.7 t -133.65 132.72 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 80' ' ' ASN . 14.9 mt -103.09 154.13 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CE1' HG12 ' A' ' 88' ' ' VAL . 26.5 m-85 -142.55 162.79 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.601 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -146.04 176.26 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -147.05 171.66 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.54 -43.6 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -122.87 154.3 38.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.96 -48.85 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -51.74 -40.65 60.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -54.7 -53.69 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.859 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 45.6 ttp180 -42.97 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ARG . 33.5 mt -36.94 -57.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -45.93 -47.15 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 77.0 m95 -66.97 -46.44 74.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 65' ' ' TYR . 37.8 t -55.64 -45.97 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -60.48 -46.75 88.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.98 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.762 ' HB2' HG11 ' A' ' 63' ' ' VAL . 84.7 mtp -43.11 -35.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.2 t80 -57.03 -58.42 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -63.4 -31.23 72.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -59.05 -46.75 87.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.665 HG22 ' HB3' ' A' ' 58' ' ' LEU . 24.3 p -79.97 -40.87 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.85 31.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.71 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.3 pt20 -56.66 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -95.62 -43.17 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.33 100.68 12.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 13.8 ttmm -62.77 138.18 96.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.09 46.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.559 HG23 ' HD2' ' A' ' 117' ' ' PRO . 9.3 p -114.94 137.39 22.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.4 Cg_endo -69.75 127.3 14.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -177.08 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 119' ' ' THR . 4.0 t -142.96 108.29 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -120.58 137.8 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.5 t -114.63 -44.3 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 149.39 -166.55 29.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 84.97 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -133.04 129.39 38.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.2 t -165.82 174.73 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 29.4 t -116.21 108.09 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.809 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 49.4 m -35.26 151.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.99 49.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 t -102.38 131.06 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -83.94 -50.01 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.96 91.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 mtt -107.11 102.58 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -74.79 -51.26 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.482 ' OG ' HG13 ' A' ' 31' ' ' VAL . 42.7 m -135.58 146.51 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.55 147.69 4.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.0 m-85 -56.42 132.98 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' CE2' ' A' ' 101' ' ' TRP . 64.1 mt -149.47 138.26 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.8 m95 -83.62 126.22 32.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -147.48 148.14 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 tt -140.88 124.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.07 -177.81 16.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -86.75 -40.18 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -97.93 -35.45 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -121.03 161.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.665 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 47.64 28.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -41.37 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -103.47 139.7 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.492 ' CD2' HD22 ' A' ' 72' ' ' LEU . 70.7 t-105 -83.57 96.73 8.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -145.73 154.45 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 17.4 ttpp -73.87 120.72 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -134.96 145.48 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -60.45 104.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 12.0 m-85 -100.81 140.06 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.482 HG13 ' OG ' ' A' ' 11' ' ' SER . 62.1 t -141.83 130.68 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -82.72 118.65 23.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -111.41 151.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 58.6 tt0 -105.87 107.28 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.31 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 t -121.5 172.82 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -47.31 -39.5 14.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.15 37.49 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -140.8 133.12 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.844 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.9 m-85 -135.84 166.17 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.934 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.62 150.73 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.508 ' HG2' HD11 ' A' ' 58' ' ' LEU . 72.0 mmm -92.36 106.5 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.624 ' SG ' HD13 ' A' ' 55' ' ' LEU . 85.3 m -100.27 116.84 33.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -99.78 77.75 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.89 141.77 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -91.63 -18.11 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' N ' ' HB3' ' A' ' 50' ' ' ALA . 8.3 tt0 -161.73 161.99 29.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -38.21 -44.61 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 4.3 tppt? -107.67 -42.45 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' N ' ' A' ' 47' ' ' GLU . . . -34.09 132.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.42 151.2 96.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 93.24 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.33 -59.04 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -93.68 137.23 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.934 HD11 ' HB1' ' A' ' 41' ' ' ALA . 18.7 tp -146.04 133.44 20.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.487 HD21 HG21 ' A' ' 88' ' ' VAL . 18.6 tp -123.63 107.3 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -74.58 125.46 28.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 109' ' ' THR . 1.7 mt -96.68 38.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.84 -21.01 63.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.25 -0.87 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.711 ' O ' HG21 ' A' ' 109' ' ' THR . 11.9 m-85 -74.11 136.09 42.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -109.18 95.09 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 105' ' ' MET . 3.7 p -83.0 142.73 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -171.7 149.88 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.0 m-85 -52.11 136.48 29.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -144.14 163.18 34.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -65.79 157.65 78.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.74 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -58.02 143.02 78.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.29 -52.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 25' ' ' TRP . 20.9 mt -68.62 123.25 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 5.6 tp10 -112.37 -61.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.3 107.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.1 144.9 16.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -90.4 -50.9 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.801 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -67.03 141.89 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 53.8 m-85 -127.89 115.41 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.2 p90 -140.15 124.52 17.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -122.87 164.26 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.39 152.58 32.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.84 125.63 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.3 tptm -123.74 155.84 37.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 28.4 mm-40 -34.48 -56.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.77 18.9 3.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.9 148.13 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -138.14 122.76 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.487 HG21 HD21 ' A' ' 56' ' ' LEU . 28.4 t -129.7 140.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 90' ' ' PHE . 23.8 mt -110.99 157.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 92.6 m-85 -143.81 153.08 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.87 150.71 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 p -123.58 -175.88 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -86.89 -41.32 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 21.0 t0 -119.8 155.68 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 46.7 tt0 -66.12 -40.21 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.587 ' HA ' HD12 ' A' ' 99' ' ' ILE . 0.7 OUTLIER -58.11 -43.34 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 100' ' ' LEU . 6.8 m-20 -55.02 -50.25 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.801 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 46.2 ttp180 -45.88 -46.71 15.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 96' ' ' GLN . 29.7 mt -55.06 -50.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 97' ' ' ASP . 19.0 mt -51.96 -46.17 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.708 ' CE2' HD11 ' A' ' 14' ' ' LEU . 68.0 m95 -67.52 -44.27 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.964 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 37.3 t -58.43 -40.48 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.06 -44.73 91.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.576 ' HB2' HG11 ' A' ' 63' ' ' VAL . 84.0 mtp -47.74 -30.84 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.7 OUTLIER -60.79 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -72.84 -36.93 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -51.83 -43.12 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.711 HG21 ' O ' ' A' ' 61' ' ' TYR . 9.8 p -81.51 -48.32 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.72 25.15 23.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -51.81 177.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.9 m -99.74 -40.16 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.8 99.29 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 34.9 tttp -63.96 135.57 96.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.91 26.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.676 HG23 ' HD2' ' A' ' 117' ' ' PRO . 5.0 p -104.53 138.66 19.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.1 Cg_endo -69.76 113.83 3.5 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 54.0 Cg_endo -69.78 179.38 3.75 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.745 2.297 . . . . 0.0 112.303 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -161.75 123.73 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -126.61 153.13 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -75.7 -62.64 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -170.37 -99.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.2 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 m 62.66 37.76 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.8 m -125.78 83.67 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t 53.99 42.59 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 66.25 41.22 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.43 102.67 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -80.93 -48.45 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -129.47 152.51 48.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 69.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.62 159.86 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HB2' HD23 ' A' ' 32' ' ' LEU . 27.7 mmtm -103.28 -51.55 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -125.53 154.48 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.1 p -151.14 163.29 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.08 167.26 11.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.16 128.81 34.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.886 0.374 . . . . 0.0 110.951 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD11 ' CE2' ' A' ' 101' ' ' TRP . 18.5 mt -141.98 160.86 39.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.3 m95 -99.06 117.92 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -135.88 153.18 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -148.85 127.33 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.98 -157.39 9.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.533 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -101.41 -42.82 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -93.7 -39.97 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.654 HG23 ' CE3' ' A' ' 22' ' ' TRP . 19.4 m -113.92 169.02 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.654 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.1 m-90 37.87 38.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -43.69 -22.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.9 mmt85 -106.11 164.73 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.1 t-105 -105.92 95.53 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -146.32 154.19 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 33.9 tttp -70.08 120.36 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -130.65 154.84 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -69.33 98.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 19.8 m-85 -96.49 138.77 33.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.3 t -139.0 122.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 9' ' ' LYS . 30.3 tp -79.46 103.25 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -99.12 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 61.6 tt0 -98.29 101.59 13.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 t -71.3 -61.64 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -115.6 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 16.5 tp60 -48.96 -40.94 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 2.0 m-85 -125.25 33.12 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -136.82 136.5 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.1 m-85 -138.86 163.99 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.13 149.57 30.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.85 103.73 16.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -99.24 124.91 44.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -103.9 81.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.92 111.45 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -74.97 -11.98 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -158.91 175.49 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HG3' ' CD ' ' A' ' 49' ' ' LYS . 7.6 ptpp? -67.33 -33.42 75.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -109.43 -50.89 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.31 115.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.87 151.54 53.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.698 0.761 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -49.52 -51.74 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -95.3 134.13 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.815 HD21 ' HB1' ' A' ' 41' ' ' ALA . 6.2 tt -149.16 115.4 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.692 HD11 ' OH ' ' A' ' 61' ' ' TYR . 21.5 tp -105.8 110.27 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.09 128.0 34.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HB3' HG22 ' A' ' 109' ' ' THR . 57.6 mt -93.43 35.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -79.95 43.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.27 -36.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.692 ' OH ' HD11 ' A' ' 56' ' ' LEU . 11.3 m-85 -39.15 144.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.498 HG23 ' CD ' ' A' ' 111' ' ' GLN . 36.6 m -115.4 93.91 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.748 HG11 ' HB2' ' A' ' 105' ' ' MET . 3.8 p -83.59 133.87 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -161.51 155.78 22.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.8 m-85 -61.47 134.69 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.419 HG21 ' ND2' ' A' ' 80' ' ' ASN . 11.4 t -146.37 162.06 39.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.68 152.83 44.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.558 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.77 105.11 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -46.77 138.05 7.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.679 . . . . 0.0 110.956 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 128.24 -62.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD11 HD13 ' A' ' 89' ' ' ILE . 27.3 mt -36.03 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.64 113.71 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.415 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -177.41 -44.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.95 178.8 18.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -89.03 -61.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.759 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -69.25 144.87 53.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 78.4 m-85 -129.17 118.15 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.4 p90 -136.54 121.88 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.419 ' ND2' HG21 ' A' ' 66' ' ' THR . 33.4 p30 -111.59 173.78 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.86 139.28 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.76 126.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 12.6 tptm -124.23 156.04 37.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 83' ' ' LYS . 9.6 mm-40 -32.84 -44.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.22 24.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.23 148.21 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 m -138.73 117.51 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.588 HG12 ' CE1' ' A' ' 90' ' ' PHE . 49.9 t -131.5 140.62 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 72' ' ' LEU . 6.3 mt -111.74 153.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CE1' HG12 ' A' ' 88' ' ' VAL . 46.4 m-85 -141.73 163.03 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.527 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -147.05 174.89 11.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 45.3 p -147.39 176.53 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.66 -43.26 56.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.19 156.32 49.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 20.8 tt0 -53.79 -44.74 70.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.22 67.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -54.49 -46.07 73.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.759 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 52.5 ttp180 -47.42 -61.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.54 -61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -39.28 -40.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.598 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.1 m95 -77.83 -51.96 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.441 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 25.1 t -48.46 -49.82 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.37 -50.83 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.14 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.748 ' HB2' HG11 ' A' ' 63' ' ' VAL . 86.0 mtp -46.89 -33.0 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 7.3 t80 -59.48 -57.39 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtt-85 -64.09 -40.7 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.52 -35.13 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 105' ' ' MET . 21.8 p -89.07 -41.29 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.49 37.38 31.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.498 ' CD ' HG23 ' A' ' 62' ' ' THR . 6.6 pt20 -59.97 174.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -87.17 -45.01 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -91.97 117.3 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 19.0 tttp -76.15 134.54 70.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.08 52.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 117' ' ' PRO . 5.5 p -125.57 138.63 32.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.4 Cg_endo -69.74 124.19 10.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -176.24 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.8 t -174.46 137.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.79 129.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -174.87 111.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -141.44 147.07 18.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.22 63.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.1 t -172.62 130.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 m -72.0 -59.99 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t 56.86 42.32 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -134.09 160.22 38.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.64 -77.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -39.46 -61.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -88.82 -53.52 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.52 -46.12 1.09 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -38.47 133.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.696 ' HB2' HD23 ' A' ' 32' ' ' LEU . 29.2 mmmt -107.32 -54.35 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -140.62 162.05 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.0 p -157.82 143.76 17.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.05 150.2 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -53.29 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD11 ' CE2' ' A' ' 101' ' ' TRP . 93.4 mt -151.23 159.68 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -112.58 119.44 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -141.87 154.5 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -147.53 120.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.38 -172.44 15.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -86.81 -43.1 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.85 -39.11 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG23 ' CE3' ' A' ' 22' ' ' TRP . 27.2 m -116.67 159.64 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.637 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.7 m-90 50.18 30.32 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -39.83 -31.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -105.39 147.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.643 ' CE3' HD22 ' A' ' 72' ' ' LEU . 75.1 t-105 -85.31 99.54 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.24 154.33 46.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 22.4 tttm -81.8 110.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -127.58 165.15 20.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -78.24 107.19 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 21.3 m-85 -98.65 140.2 33.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.58 141.98 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' ' 9' ' ' LYS . 46.8 tp -96.6 106.37 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.41 139.53 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -96.34 101.71 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 t -71.36 -64.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -116.92 178.52 4.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -52.68 -41.55 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -124.84 37.13 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -142.04 136.37 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 36.7 m-85 -137.65 168.4 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.82 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.89 143.16 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.402 ' HG2' HD11 ' A' ' 58' ' ' LEU . 81.3 mmm -92.27 103.14 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 m -92.44 131.83 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.7 t -109.89 111.31 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -104.39 137.2 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.9 -52.42 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 2.6 tt0 -97.43 159.32 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 49' ' ' LYS . 1.1 ptpm? -63.47 -49.48 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 48' ' ' LYS . 15.6 mtmm -111.13 60.63 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . . . -139.87 141.19 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -76.32 150.1 82.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 91.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -57.21 -47.08 82.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -94.32 121.57 35.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.82 HD21 ' HB1' ' A' ' 41' ' ' ALA . 2.1 tt -142.61 114.43 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' CD2' HG21 ' A' ' 88' ' ' VAL . 16.7 tp -109.44 114.42 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 11.0 mt-30 -76.75 137.49 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.85 ' O ' HG22 ' A' ' 109' ' ' THR . 10.0 mt -105.54 38.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.18 -68.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.73 18.64 29.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 18.2 m-85 -75.65 150.15 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.51 HG22 ' OD2' ' A' ' 64' ' ' ASP . 9.4 m -122.19 94.49 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.778 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.5 p -82.76 135.0 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.51 ' OD2' HG22 ' A' ' 62' ' ' THR . 24.6 m-20 -158.95 -177.8 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.42 129.17 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -137.8 154.08 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.65 153.35 83.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -47.41 140.54 7.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.08 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.54 -52.71 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.643 HD22 ' CE3' ' A' ' 25' ' ' TRP . 18.5 mt -65.67 108.48 2.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -109.45 64.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.61 96.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 155.69 16.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -88.54 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.653 ' HB3' ' OG ' ' A' ' 92' ' ' SER . . . -69.07 146.08 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 40.5 m-85 -131.33 124.99 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.9 p90 -143.32 120.14 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -114.44 156.26 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.37 155.38 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.21 129.06 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 21.6 tptm -126.5 156.93 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 44.3 mm-40 -33.91 -52.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.44 18.82 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.17 144.65 50.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -135.54 137.27 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.623 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.7 t -144.99 137.9 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 mt -109.87 148.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.623 ' CE1' HG12 ' A' ' 88' ' ' VAL . 48.5 m-85 -137.72 163.38 31.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.17 162.66 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.653 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 24.6 p -135.11 167.36 21.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.12 -52.83 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.6 164.56 16.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -62.37 -46.15 89.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -51.31 -53.15 38.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.14 -52.63 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.582 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 41.3 ttp180 -44.53 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ARG . 77.1 mt -36.82 -53.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 mt -50.96 -41.14 59.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.624 ' CE2' HD11 ' A' ' 14' ' ' LEU . 67.5 m95 -73.64 -47.14 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 55.1 t -57.75 -37.84 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -67.42 -44.79 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.41 -62.15 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.778 ' HB2' HG11 ' A' ' 63' ' ' VAL . 67.1 mtp -51.6 -31.26 24.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.4 t80 -59.48 -53.62 56.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -67.73 -36.76 81.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.24 -44.39 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 58' ' ' LEU . 61.5 p -81.05 -45.42 16.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.6 32.32 13.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 19.3 pt20 -54.48 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -104.46 -39.19 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.55 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 62.5 m-70 -86.46 101.58 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 39.0 tttm -62.98 125.75 87.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.38 47.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 117' ' ' PRO . 85.0 t -135.83 136.96 24.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.5 Cg_endo -69.8 135.06 29.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 164.24 35.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -111.95 40.52 2.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 153.29 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.6 t -94.51 -60.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.31 174.35 13.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 124' ' ' SER . 53.8 Cg_endo -69.8 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 123' ' ' PRO . 26.3 m -34.7 -59.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 m -83.27 163.5 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -126.28 55.21 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -154.23 115.34 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.13 136.08 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -112.62 110.47 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -134.18 92.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 -81.13 0.44 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ttm -45.17 121.84 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.761 ' HB2' HD23 ' A' ' 32' ' ' LEU . 23.6 mmtp -103.55 -54.32 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -135.42 140.27 44.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.564 ' CB ' HG22 ' A' ' 31' ' ' VAL . 88.5 p -143.24 141.82 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.68 159.32 9.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.81 129.24 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 101' ' ' TRP . 96.7 mt -143.76 159.28 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.2 m95 -108.53 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -134.81 158.4 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 tt -154.22 124.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.44 -164.51 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -92.91 -43.67 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -98.35 -33.81 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG23 ' CE3' ' A' ' 22' ' ' TRP . 30.4 m -115.26 159.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.4 m-90 43.68 35.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -43.14 -27.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -105.27 149.35 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.2 t-105 -89.57 100.09 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -142.29 156.2 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 14.6 tttt -83.95 112.59 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -130.35 160.05 35.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -69.57 116.18 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 12.9 m-85 -108.93 141.49 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG22 ' CB ' ' A' ' 11' ' ' SER . 24.6 t -140.75 139.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.761 HD23 ' HB2' ' A' ' 9' ' ' LYS . 19.3 tp -93.17 105.38 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 t -98.99 140.96 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 37.3 tt0 -96.7 103.73 15.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.37 -62.2 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -113.99 170.88 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -46.82 -39.95 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.64 35.63 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -139.15 136.15 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 11.6 m-85 -135.8 166.77 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.879 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.34 149.77 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 mmm -92.47 108.15 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 m -100.02 115.16 29.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 t -96.49 101.17 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -90.89 135.73 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -100.1 -65.39 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.91 169.87 15.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -46.95 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -125.35 90.45 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . . . -157.05 135.12 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' ALA . 38.8 mm-40 -37.52 147.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.729 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 53.8 Cg_endo -69.74 101.15 0.87 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' PRO . 13.0 mt-30 -36.92 -31.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 mp0 -137.02 154.86 50.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.879 HD11 ' HB1' ' A' ' 41' ' ' ALA . 14.3 tp -154.84 129.88 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 16.3 tp -126.58 108.93 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -78.35 121.66 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.706 ' HB3' HG22 ' A' ' 109' ' ' THR . 5.1 mt -87.03 35.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -44.96 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -129.38 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.631 ' CZ ' HD11 ' A' ' 56' ' ' LEU . 17.6 m-85 -34.97 139.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.494 HG23 ' CB ' ' A' ' 111' ' ' GLN . 3.5 m -114.0 100.14 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 105' ' ' MET . 4.1 p -82.86 146.89 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.49 167.64 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' HG11 ' A' ' 102' ' ' VAL . 11.3 m-85 -76.2 136.51 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -144.93 170.18 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.9 153.32 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.74 115.57 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -66.49 141.1 96.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 108.83 2.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.47 -62.7 0.61 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -50.78 114.21 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.314 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 8.6 pt-20 -122.4 90.73 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.495 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -144.05 -56.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -174.47 13.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.514 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 30.8 ttm-85 -87.7 -67.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.78 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -62.82 146.24 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 74.6 m-85 -131.42 109.27 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -123.61 125.43 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -120.81 155.65 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.16 153.7 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.6 t -118.07 124.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 15.5 tptp -120.59 154.57 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.4 mm-40 -31.83 -44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.25 19.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.427 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -127.29 146.61 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.5 m -138.77 129.45 26.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.459 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.7 t -138.24 141.99 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mt -111.86 150.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.706 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 89.9 m-85 -138.55 161.94 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.73 150.19 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.2 p -123.47 171.58 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -72.04 -49.47 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.58 152.69 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.99 -26.68 66.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -65.79 -45.02 83.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.2 m-20 -56.03 -51.14 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.78 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 14.3 ttp180 -39.23 -49.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.6 mt -59.3 -46.86 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 97' ' ' ASP . 13.5 mt -53.91 -30.74 47.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.7 ' CE2' HD11 ' A' ' 14' ' ' LEU . 78.1 m95 -85.04 -46.39 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.556 HG11 ' CE1' ' A' ' 65' ' ' TYR . 97.3 t -57.65 -45.73 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -60.32 -46.96 88.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.715 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.1 mtp -47.93 -33.22 7.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.2 t80 -56.41 -47.03 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -75.91 -34.01 59.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -59.73 -36.52 76.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 58' ' ' LEU . 16.3 p -88.33 -38.99 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.38 34.57 44.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.494 ' CB ' HG23 ' A' ' 62' ' ' THR . 23.9 pt20 -56.04 177.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -101.06 -21.64 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 70.5 t60 -104.06 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -70.62 124.3 90.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.24 37.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.579 HG23 ' HD2' ' A' ' 117' ' ' PRO . 8.2 p -121.7 137.36 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.8 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.436 ' HG3' ' NH2' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.77 151.25 68.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -147.18 121.78 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -124.86 110.28 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.0 p -146.75 145.18 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.47 146.47 18.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -36.96 9.94 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.0 p -79.38 139.34 37.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.1 t -104.79 -57.02 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -88.26 136.82 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -143.19 139.55 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.61 -89.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.6 t -36.57 -41.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.866 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -59.43 -59.31 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.3 -56.72 1.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.9 mtt -79.08 103.65 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.712 ' HB2' HD23 ' A' ' 32' ' ' LEU . 66.0 mmtt -78.22 -41.58 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -160.17 148.94 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 p -147.36 175.2 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.64 146.06 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -51.52 131.1 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 101' ' ' TRP . 90.4 mt -143.99 160.25 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.1 m95 -107.93 118.91 37.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.42 156.79 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.7 tt -148.93 133.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.64 -169.74 12.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -93.88 -39.51 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.96 -24.05 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' LYS . 24.0 m -127.85 165.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.477 ' NE1' ' HB2' ' A' ' 54' ' ' GLU . 4.5 m-90 37.11 29.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' VAL . 69.0 mttt -41.87 -28.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -99.69 136.26 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.748 ' CE3' HD22 ' A' ' 72' ' ' LEU . 75.8 t-105 -77.09 98.79 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -141.26 156.55 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 5.6 ttpp -88.5 112.06 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -130.76 160.12 35.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.05 125.31 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 15.5 m-85 -116.57 137.35 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.26 122.5 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 9' ' ' LYS . 20.2 tp -80.57 105.55 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.3 t -93.39 137.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 38.1 tt0 -88.43 95.36 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 t -67.02 -66.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -113.76 -176.94 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -53.62 -47.17 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.89 27.5 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -128.9 138.58 52.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 43.6 m-85 -137.65 168.63 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.854 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.12 146.68 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.0 mmt -93.74 104.81 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 119.29 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -101.78 84.92 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.27 139.21 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.49 -41.73 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -134.28 145.07 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -46.34 -50.73 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -95.44 61.46 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.43 177.95 10.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -110.82 152.03 43.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.649 0.738 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.62 -48.19 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 25.8 mp0 -105.4 132.01 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.854 HD21 ' HB1' ' A' ' 41' ' ' ALA . 5.0 tt -142.09 114.34 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.85 116.82 32.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.06 128.78 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 109' ' ' THR . 3.6 mt -98.24 37.57 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.6 -21.83 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.4 14.96 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 13.0 m-85 -80.72 142.72 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.441 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.8 m -112.34 95.26 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.733 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.4 p -84.34 128.9 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.21 165.54 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 24.5 m-85 -67.89 141.32 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 170.75 16.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.05 158.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.74 109.12 2.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.54 139.01 97.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 93.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.4 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 152.45 -46.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.748 HD22 ' CE3' ' A' ' 25' ' ' TRP . 56.3 mt -70.1 108.78 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -124.35 64.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -123.12 -43.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.42 -172.84 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -95.49 -69.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 95' ' ' GLU . . . -55.95 145.06 26.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 34.1 m-85 -130.41 121.5 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 6.2 p90 -147.46 126.59 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -126.0 154.69 42.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.14 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.0 t -106.7 127.02 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 12.8 tptm -118.45 156.91 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.9 mt-10 -33.59 -49.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.61 11.39 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.51 149.12 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 m -138.71 139.26 38.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 90' ' ' PHE . 70.3 t -144.74 138.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 mt -107.28 152.71 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 88' ' ' VAL . 66.0 m-85 -142.64 156.24 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.03 31.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.42 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 6.1 t -119.52 -179.97 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 97' ' ' ASP . 0.7 OUTLIER -142.42 162.45 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 10.2 tm-20 -64.12 -38.64 91.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -55.74 -41.16 73.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 73.2 m-20 -63.97 -52.45 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.497 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 33.2 ttp180 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.52 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.428 ' H ' HD12 ' A' ' 100' ' ' LEU . 7.3 mp -56.19 -36.54 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.578 ' CE2' HD11 ' A' ' 14' ' ' LEU . 50.5 m95 -71.83 -43.22 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.96 -45.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.82 -47.1 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.48 -57.55 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.733 ' CB ' HG11 ' A' ' 63' ' ' VAL . 40.3 mmm -51.65 -38.84 56.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 10.8 t80 -55.62 -57.62 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -62.28 -39.15 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 40' ' ' PHE . . . -55.59 -40.85 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' ' 58' ' ' LEU . 46.0 p -79.75 -46.74 16.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.5 34.65 9.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.415 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 12.9 pt20 -67.22 170.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -101.28 -27.54 13.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -86.06 69.86 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 16.6 tttm -40.86 123.4 1.94 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.408 ' CD ' ' CD1' ' A' ' 106' ' ' TYR . 53.6 Cg_endo -69.74 142.55 48.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 117' ' ' PRO . 99.6 t -115.06 138.91 23.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.77 110.32 2.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.5 53.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.7 p -110.95 104.23 12.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -91.88 96.42 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -133.49 131.44 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.48 170.94 40.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 109.23 2.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.1 p -83.79 166.11 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.9 t 62.86 43.48 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -93.88 131.35 39.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -42.58 156.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.14 112.81 3.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -63.65 -51.17 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -146.24 132.19 19.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.99 6.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.1 mtp -41.83 115.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -114.03 -54.02 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.05 157.02 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -157.5 158.11 35.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 159.41 8.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.65 135.01 54.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.957 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 101' ' ' TRP . 34.1 mt -152.75 141.77 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.631 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 7.5 m95 -86.5 118.01 25.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.98 149.13 42.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.51 124.23 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.53 177.42 16.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -45.17 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -90.47 -39.91 12.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG23 ' CE3' ' A' ' 22' ' ' TRP . 25.2 m -118.68 155.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.72 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.4 m-90 51.25 38.08 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -47.47 -26.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -101.62 149.88 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.671 ' CD2' HD22 ' A' ' 72' ' ' LEU . 72.8 t-105 -87.3 95.4 9.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 34.6 tptt -140.61 152.63 45.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 16.2 ttmt -89.1 117.74 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.95 169.56 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.5 126.57 29.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 18.1 m-85 -124.44 125.31 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.33 135.36 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.201 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -85.72 106.94 17.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.87 137.17 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 41.9 tt0 -95.47 96.18 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.89 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 p -135.16 -175.11 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -46.27 -59.58 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.06 41.31 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.426 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.4 m -142.25 137.32 30.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 23.0 m-85 -142.72 168.19 20.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.8 143.62 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 78.8 mmm -92.39 104.17 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.432 ' SG ' HD13 ' A' ' 55' ' ' LEU . 3.8 m -94.22 128.77 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t -111.13 88.06 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 76.8 m-85 -68.31 116.17 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.86 ' NH1' ' HB1' ' A' ' 50' ' ' ALA . 10.7 ttm105 -36.16 -64.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.611 ' H ' ' HB3' ' A' ' 50' ' ' ALA . 1.8 pt-20 -130.17 175.98 8.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.55 -39.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -131.94 86.49 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.86 ' HB1' ' NH1' ' A' ' 46' ' ' ARG . . . -167.61 130.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.22 149.27 1.33 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 91.43 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.379 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' C ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -47.22 -61.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 33.6 mp0 -100.07 130.76 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.803 HD11 ' HB1' ' A' ' 41' ' ' ALA . 22.9 tp -131.26 140.45 49.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 55' ' ' LEU . 23.1 tp -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.74 136.71 53.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' HB3' HG22 ' A' ' 109' ' ' THR . 62.5 mt -98.56 30.51 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.34 80.47 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.96 -34.45 3.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.8 m-85 -45.42 140.03 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.436 HG22 ' OD2' ' A' ' 64' ' ' ASP . 5.2 m -111.62 95.79 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 105' ' ' MET . 7.5 p -84.08 138.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.2 m-20 -164.2 167.73 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -69.08 135.49 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -145.13 154.44 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.28 161.58 48.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.8 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -53.37 139.5 47.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.19 -54.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.671 HD22 ' CD2' ' A' ' 25' ' ' TRP . 13.8 mt -68.63 143.27 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -128.54 -54.8 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.56 134.99 3.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -85.67 -53.97 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.54 144.56 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.1 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.0 p90 -149.39 127.15 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 56.1 p30 -125.22 168.31 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.82 149.33 40.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.1 t -109.61 128.27 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 12.7 tptm -128.59 156.36 43.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.6 mt-10 -33.66 -58.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.7 21.18 3.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.02 146.45 50.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.4 m -138.59 129.64 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.19 131.74 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 90' ' ' PHE . 13.0 mt -103.35 156.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 91.3 m-85 -142.45 154.64 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . . . -148.93 146.63 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.41 ' HA ' HD23 ' A' ' 14' ' ' LEU . 76.4 p -118.57 172.77 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.51 -49.25 50.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -119.49 148.05 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 44.8 tt0 -50.49 -44.66 55.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -50.11 -56.45 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.05 -53.15 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.725 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 50.4 ttp180 -43.87 -64.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.598 HG22 ' OE1' ' A' ' 103' ' ' GLN . 50.7 mt -36.79 -62.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.1 mt -44.94 -45.93 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.559 ' CE2' HD11 ' A' ' 14' ' ' LEU . 71.5 m95 -65.16 -50.17 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.26 -40.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.598 ' OE1' HG22 ' A' ' 99' ' ' ILE . 56.3 mt-30 -63.33 -44.14 95.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.31 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.54 ' HB2' HG11 ' A' ' 63' ' ' VAL . 81.6 mtp -47.68 -37.56 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -51.72 -48.36 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -75.89 -40.94 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.49 -38.16 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 58' ' ' LEU . 60.1 p -75.85 -51.05 13.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.65 31.22 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.59 -176.35 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -128.45 12.74 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 114' ' ' LYS . 60.2 m-70 -106.26 60.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 113' ' ' HIS . 6.5 mtpm? -33.89 97.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 113' ' ' HIS . 53.9 Cg_endo -69.77 143.72 51.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.441 HG23 ' HD2' ' A' ' 117' ' ' PRO . 6.3 p -128.21 133.0 24.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 118' ' ' PRO . 53.6 Cg_endo -69.76 110.3 2.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.9 Cg_endo -69.76 179.02 3.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.1 p -121.27 103.77 9.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.29 145.51 35.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.2 m -134.94 102.87 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -101.37 146.19 17.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.48 37.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.3 p -48.63 137.76 11.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.4 m 41.37 42.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.7 t -108.31 139.87 42.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 12.6 p 37.13 43.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.45 126.74 10.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -142.26 142.2 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -85.69 83.54 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 9' ' ' LYS . . . -140.38 -86.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' GLY . 37.5 mtp 36.64 29.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 7' ' ' GLY . 28.3 mmtm -38.42 -62.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.588 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 3.2 m-70 -111.65 166.89 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.3 p -174.96 127.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.61 157.05 9.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -61.58 133.04 55.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.985 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.5 mt -151.07 162.25 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -109.22 116.77 32.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -134.38 155.24 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.3 129.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.47 -171.73 13.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.61 -41.67 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -97.69 -38.69 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.677 HG23 ' CE3' ' A' ' 22' ' ' TRP . 16.6 m -113.98 158.48 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.677 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.2 m-90 46.77 33.27 2.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -39.26 -29.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -104.24 163.37 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.706 ' CE3' HD22 ' A' ' 72' ' ' LEU . 66.4 t-105 -103.94 101.97 11.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -146.73 157.36 43.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.8 ttpp -76.19 113.66 13.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 28' ' ' ARG . 15.5 ttm105 -131.47 167.56 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -82.53 116.08 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.656 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 40.4 m-85 -112.49 136.06 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.26 129.81 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 9' ' ' LYS . 32.6 tp -84.36 103.08 13.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -95.64 136.28 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.0 tt0 -89.75 101.03 13.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.92 -62.08 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -118.09 175.34 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -50.18 -41.28 49.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.9 33.38 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 m -139.19 133.05 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 15.3 m-85 -134.06 169.95 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -151.98 144.09 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.591 ' HG2' HD11 ' A' ' 58' ' ' LEU . 82.0 mmm -91.96 101.06 13.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.7 m -90.95 139.32 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -110.91 101.19 9.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.82 134.57 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.82 -36.54 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -127.03 178.19 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -48.47 -69.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -115.31 78.84 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.02 147.7 49.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -55.03 145.84 41.99 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 94.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -40.37 -49.72 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 12.5 mp0 -123.9 132.07 53.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 5.4 tt -134.44 113.27 11.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.84 120.65 42.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -81.43 126.21 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.803 ' O ' HG22 ' A' ' 109' ' ' THR . 9.1 mt -97.84 40.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.72 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.38 4.51 62.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-85 -60.65 146.33 45.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.44 HG23 ' CD ' ' A' ' 111' ' ' GLN . 56.0 m -124.62 96.97 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 ' HB2' ' A' ' 105' ' ' MET . 2.1 p -83.82 141.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -168.4 148.48 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 12.7 m-85 -49.85 139.24 13.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 t -145.46 160.66 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.5 156.64 91.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.77 98.44 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.46 138.41 49.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 93.35 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.69 -54.81 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.706 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.4 mt -61.39 129.18 39.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.23 68.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -169.73 91.32 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.7 155.98 9.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -93.32 -51.48 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.775 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -73.74 147.16 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 68' ' ' PRO . 30.4 m-85 -131.45 127.98 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 7.3 p90 -153.89 126.65 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -123.1 160.69 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.21 155.48 21.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.6 t -118.09 125.82 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 21.1 tptm -125.68 156.83 38.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.8 mt-10 -33.67 -60.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.58 20.14 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.93 146.69 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 m -138.88 132.97 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 90' ' ' PHE . 63.2 t -141.24 139.48 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.4 mt -110.73 147.24 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.628 ' CE1' HG12 ' A' ' 88' ' ' VAL . 23.3 m-85 -134.81 163.76 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.07 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 1.9 m -140.56 162.97 34.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -81.02 -39.2 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.12 136.44 53.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.05 -32.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -49.13 77.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.775 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 44.5 ttp180 -43.96 -58.51 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mt -46.39 -59.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.84 -48.07 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 65.4 m95 -63.26 -47.25 83.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 65' ' ' TYR . 50.4 t -57.31 -35.07 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.32 -43.08 71.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 -60.46 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.664 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.6 mtp -50.32 -34.44 23.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.13 -56.59 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.6 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.471 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -56.86 -44.19 81.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 58' ' ' LEU . 71.1 p -80.63 -44.74 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.4 24.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.44 ' CD ' HG23 ' A' ' 62' ' ' THR . 11.2 pt20 -50.61 -178.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -94.66 -38.92 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -83.95 -178.16 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -135.27 122.86 15.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.84 33.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.646 HG23 ' HD2' ' A' ' 117' ' ' PRO . 6.6 p -119.5 138.36 26.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.5 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 173.22 11.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 119' ' ' THR . 9.1 t -148.36 111.18 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -68.89 124.34 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.3 t -88.27 82.35 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -120.91 83.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -52.08 133.65 33.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 86.8 p -45.18 138.19 4.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -149.86 132.89 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m -140.03 137.14 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.92 161.47 26.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -173.25 138.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 m -54.38 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.16 78.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -101.2 143.95 30.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -109.73 -65.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -126.05 169.19 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HB2' HG22 ' A' ' 31' ' ' VAL . 59.7 p -160.91 154.9 22.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.37 156.75 7.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.24 137.11 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.962 0.41 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 101' ' ' TRP . 49.9 mt -152.6 160.18 43.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -108.34 117.67 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -140.66 156.48 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.068 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.2 tt -148.72 128.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.12 -164.41 12.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -96.91 -44.69 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.01 -35.79 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG23 ' CE3' ' A' ' 22' ' ' TRP . 32.2 m -119.76 162.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.493 ' CD1' ' OE1' ' A' ' 54' ' ' GLU . 4.8 m-90 44.59 31.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -42.3 -24.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' TRP . 55.7 mtm-85 -104.86 143.99 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.8 t-105 -84.16 84.71 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -128.34 157.28 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 21.2 ttpp -87.85 117.85 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -134.52 160.94 36.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.32 104.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.8 m-85 -99.74 135.38 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 11' ' ' SER . 93.6 t -138.28 143.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.36 114.89 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.65 141.37 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 18.5 tt0 -96.13 106.88 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 -57.11 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -120.44 166.35 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -40.95 -46.32 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m-85 -122.63 39.51 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -142.75 132.29 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.47 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 14.7 m-85 -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 1.076 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -150.79 148.96 29.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.693 ' HG2' HD11 ' A' ' 58' ' ' LEU . 16.4 mmm -95.01 104.42 16.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 95.6 m -93.84 123.03 36.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 m -107.03 111.34 23.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 43' ' ' CYS . 3.9 m-85 -106.44 159.32 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -119.7 -43.55 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.69 167.92 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -62.29 -50.99 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 91.36 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -168.85 147.41 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 149.99 97.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 116.5 4.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.42 -48.39 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' OE1' ' CD1' ' A' ' 22' ' ' TRP . 14.9 mt-10 -110.42 149.47 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.076 HD11 ' HB1' ' A' ' 41' ' ' ALA . 8.0 tp -153.04 135.99 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.73 ' N ' HD12 ' A' ' 55' ' ' LEU . 17.0 tp -129.5 110.28 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.47 117.25 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.695 ' HB3' HG22 ' A' ' 109' ' ' THR . 12.3 mt -92.16 37.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -65.24 -28.85 69.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.56 -22.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.6 m-85 -45.61 142.06 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.462 HG23 ' CB ' ' A' ' 111' ' ' GLN . 25.9 m -120.86 96.51 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.466 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.4 p -82.82 149.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -173.38 176.42 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 45.7 m-85 -79.84 136.35 36.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -149.37 153.79 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 156.63 9.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.3 Cg_endo -69.68 111.07 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.79 122.29 70.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 73' ' ' GLU . . . 168.8 -47.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 44.2 mt -66.24 140.66 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 14.9 mp0 -126.0 97.34 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.4 102.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.73 158.09 23.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -96.88 -62.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.647 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.87 147.2 43.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 52.1 m-85 -131.38 117.96 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -141.53 121.27 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -118.16 165.06 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.14 149.69 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.39 128.87 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.1 tptm -124.76 155.38 39.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.6 mm-40 -34.46 -52.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.65 17.44 3.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.35 149.37 49.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.3 m -138.56 134.41 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.538 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.5 t -144.02 139.73 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 90' ' ' PHE . 10.2 mt -110.83 153.37 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.56 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 25.6 m-85 -138.46 159.59 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.45 151.47 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 80.9 p -121.17 174.73 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.77 -23.81 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -151.98 162.87 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.58 -14.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -87.25 -49.16 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . 7.2 ptt180 -54.63 -25.84 29.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.46 -51.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.79 -43.62 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.47 ' CE2' HD11 ' A' ' 14' ' ' LEU . 53.0 m95 -72.63 -36.35 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ARG . 45.6 t -68.99 -32.92 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.19 -40.27 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.32 -49.75 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.466 ' CB ' HG11 ' A' ' 63' ' ' VAL . 96.9 mtp -59.26 -29.69 67.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -62.98 -56.86 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -64.19 -35.55 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -51.69 -48.17 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 58' ' ' LEU . 30.4 p -76.04 -47.34 25.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.55 33.61 8.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 11.8 pt20 -60.58 166.23 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.2 t -84.21 -41.44 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.493 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 61.9 t60 -91.39 112.87 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 20.1 ttmt -74.4 134.81 76.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 148.3 65.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 117' ' ' PRO . 87.9 t -134.01 138.7 31.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 111.174 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.76 129.67 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 168.83 20.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p 41.69 48.46 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -74.07 101.26 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.3 t -65.88 135.84 55.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.38 -71.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 t -48.61 100.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -67.57 -54.7 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -99.44 174.27 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -110.01 -48.62 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.08 -131.72 2.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -119.17 -54.23 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -103.71 134.08 47.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.29 -68.17 0.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.9 ttm -45.77 157.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -128.33 -50.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -141.16 160.19 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -156.23 141.89 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.13 152.76 6.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.67 132.45 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.789 HD11 ' CE2' ' A' ' 101' ' ' TRP . 41.9 mt -145.72 166.9 24.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -109.69 116.42 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -134.39 151.39 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -145.52 119.03 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.88 12.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -100.59 -44.77 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.34 -26.47 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.3 m -127.26 162.46 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.605 ' HZ3' HD22 ' A' ' 56' ' ' LEU . 4.9 m-90 44.2 27.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -41.0 -27.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -101.75 135.53 43.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 70.0 t-105 -79.04 100.79 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 28.8 tttm -146.21 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 43.4 tttm -78.46 106.46 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -124.07 162.34 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 22.2 t80 -70.28 120.0 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 m-85 -114.93 132.79 56.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 88.9 t -140.03 123.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -80.98 123.03 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 34' ' ' GLN . 57.5 t -118.18 155.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG3' ' CE1' ' A' ' 40' ' ' PHE . 60.1 tt0 -102.23 98.69 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 t -67.88 -64.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -118.49 170.04 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -42.68 -42.5 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -126.85 36.87 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.09 132.15 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 13.7 m-85 -132.72 161.92 32.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.843 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -147.67 149.64 32.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmm -93.13 101.15 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.8 m -91.19 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.2 p -110.92 103.33 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -94.45 115.82 28.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -87.63 -72.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.77 173.07 11.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -78.7 -26.93 44.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -133.03 88.26 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.56 175.97 8.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.29 146.58 32.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 105.83 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -73.22 -70.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' CD ' ' CD1' ' A' ' 22' ' ' TRP . 9.4 mt-10 -67.96 101.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 41' ' ' ALA . 3.7 tt -116.96 129.64 56.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.605 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 18.1 tp -120.41 110.98 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.48 115.53 20.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HB3' HG22 ' A' ' 109' ' ' THR . 22.4 mt -82.73 37.48 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -49.27 -48.47 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.51 16.14 3.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.953 ' O ' HG21 ' A' ' 109' ' ' THR . 7.4 m-85 -71.21 104.64 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.979 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -78.34 95.75 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.745 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.5 p -85.07 134.52 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.06 164.68 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.442 ' CE2' HG11 ' A' ' 102' ' ' VAL . 16.1 m-85 -62.91 142.13 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.4 HG21 ' CG ' ' A' ' 80' ' ' ASN . 9.8 t -151.6 150.79 30.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.37 152.51 8.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.563 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.0 Cg_endo -69.73 103.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 89' ' ' ILE . 99.1 mm-40 -49.1 139.28 12.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.44 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.45 -59.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.511 HD22 ' CD2' ' A' ' 25' ' ' TRP . 34.6 mt -54.34 116.19 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.31 38.46 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . -122.43 74.91 0.37 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.82 166.28 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -96.35 -51.63 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.809 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -74.57 143.86 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 87.4 m-85 -130.99 116.6 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.583 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.7 p90 -136.82 122.88 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' CG ' HG21 ' A' ' 66' ' ' THR . 57.2 p30 -118.72 164.3 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.64 146.09 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -106.21 129.65 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 14.7 tptp -128.09 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 53.1 mm-40 -34.37 -53.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.63 19.23 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.96 148.46 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 m -138.74 128.9 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.3 t -134.72 138.05 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 69' ' ' GLN . 16.7 mt -114.07 143.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 53.0 m-85 -129.16 164.29 23.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.52 162.13 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 2.0 m -136.75 165.89 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.28 -41.67 18.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.86 129.39 54.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -45.24 -42.05 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.54 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -52.47 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.809 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 18.1 ttp180 -41.51 -66.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ARG . 53.1 mt -37.46 -53.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.49 -41.92 63.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.789 ' CE2' HD11 ' A' ' 14' ' ' LEU . 83.2 m95 -70.14 -42.6 72.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 115' ' ' PRO . 58.8 t -64.88 -35.83 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -69.47 -43.13 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.41 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.745 ' CB ' HG11 ' A' ' 63' ' ' VAL . 93.2 mtp -48.98 -33.69 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.8 t80 -57.95 -48.5 79.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -70.56 -38.83 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.98 -40.28 69.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.953 HG21 ' O ' ' A' ' 61' ' ' TYR . 63.9 p -84.74 -45.68 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.08 10.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 9.3 pt20 -64.59 178.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -100.12 -34.43 10.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.544 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 67.6 m-70 -94.9 90.6 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 35.4 tttt -53.58 139.36 49.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.48 ' HB2' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.75 134.74 28.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.33 125.22 28.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 130.03 18.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.45 2.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 p -115.1 37.76 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -115.38 128.73 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m -121.64 148.31 44.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -45.5 139.54 5.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.541 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 105.45 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.2 t -47.68 -53.57 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 m -132.91 172.3 12.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -116.46 -46.92 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -80.42 -59.62 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.8 -123.09 7.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -145.15 149.16 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -102.26 141.37 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.05 61.56 0.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mtt -78.92 104.83 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HB2' HD23 ' A' ' 32' ' ' LEU . 10.6 mtmm -87.8 -42.23 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -145.78 150.12 35.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -148.6 168.36 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.54 159.26 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.48 137.71 56.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 101' ' ' TRP . 89.4 mt -147.07 163.71 35.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.528 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 1.7 m95 -108.69 116.84 32.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -142.51 155.45 45.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 tt -151.08 132.37 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.28 -160.28 10.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' CE ' ' H ' ' A' ' 87' ' ' THR . 6.7 mtmp? -104.66 -33.57 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -97.83 -37.73 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.776 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -127.51 162.51 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.776 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 50.37 33.14 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -46.74 -28.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -95.48 134.0 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.523 ' CD2' HD22 ' A' ' 72' ' ' LEU . 66.6 t-105 -81.93 88.62 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -141.05 155.55 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 18.1 ttpp -75.06 122.82 24.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -134.75 156.63 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.54 109.52 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -104.53 142.85 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -143.21 123.27 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 9' ' ' LYS . 26.0 tp -82.24 103.73 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 34' ' ' GLN . 95.9 t -97.07 156.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 58.7 tt0 -103.63 113.29 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -86.09 -62.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 m -117.7 175.96 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -44.88 -49.74 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -122.29 36.46 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 m -137.66 142.43 41.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 31.6 m-85 -141.61 173.84 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.78 146.81 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.634 ' HG2' HD11 ' A' ' 58' ' ' LEU . 20.3 mmm -93.28 101.11 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 29.0 m -92.13 120.46 32.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 p -93.52 58.33 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 86.7 m-85 -40.72 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -50.5 -21.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -168.46 167.13 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -60.54 -11.81 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -122.66 -52.09 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.56 130.08 27.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -64.7 144.4 98.8 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.645 0.736 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 96.62 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.73 -68.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -72.16 120.18 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD21 ' HB1' ' A' ' 41' ' ' ALA . 7.0 tt -133.61 129.58 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 18.5 tp -120.06 110.32 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.49 121.46 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD11 ' HG2' ' A' ' 42' ' ' MET . 8.4 mt -91.28 34.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.29 -22.72 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.94 -26.19 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 14.6 m-85 -48.16 147.27 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.843 HG23 ' CD ' ' A' ' 111' ' ' GLN . 90.7 m -124.07 100.0 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.479 HG11 ' HB2' ' A' ' 105' ' ' MET . 2.7 p -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.86 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -72.14 130.47 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.441 HG21 ' ND2' ' A' ' 80' ' ' ASN . 9.9 t -138.28 175.06 9.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.5 154.08 78.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.2 Cg_endo -69.7 107.77 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.487 ' HG3' HD13 ' A' ' 89' ' ' ILE . 60.5 mm-40 -56.34 137.19 75.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 99.21 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.68 -60.73 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 25' ' ' TRP . 25.5 mt -60.01 133.68 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 38.3 mt-10 -118.67 -64.32 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.59 101.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.4 131.4 4.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -80.02 -49.71 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.648 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.04 148.15 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 68.8 m-85 -128.18 116.29 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -143.91 128.45 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' ND2' HG21 ' A' ' 66' ' ' THR . 29.3 p30 -126.13 163.13 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.9 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -107.29 123.4 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 18.1 tptt -120.2 154.33 35.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' LYS . 15.1 mt-10 -34.51 -53.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.97 16.51 3.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -125.84 150.6 47.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.42 ' H ' ' CE ' ' A' ' 19' ' ' LYS . 17.0 m -138.61 134.34 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 90' ' ' PHE . 25.4 t -141.68 128.42 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.487 HD13 ' HG3' ' A' ' 69' ' ' GLN . 46.9 mt -99.36 149.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 66.9 m-85 -138.46 156.49 47.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.21 165.61 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.55 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 97.5 p -137.57 164.08 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.12 -31.42 61.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -130.13 160.54 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.44 -46.82 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.99 -31.28 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.559 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -66.09 -47.48 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.648 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 46.3 ttp180 -49.65 -59.49 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.5 mt -48.17 -40.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 97' ' ' ASP . 11.9 mt -65.0 -44.49 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.628 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -68.82 -34.08 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.57 -35.05 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -74.6 -35.54 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.51 -52.28 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.479 ' HB2' HG11 ' A' ' 63' ' ' VAL . 88.2 mtp -58.95 -34.41 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.8 t80 -57.73 -55.81 30.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -61.64 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -67.36 -40.4 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 58' ' ' LEU . 8.0 p -84.13 -35.72 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.49 74.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.843 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.1 pt20 -48.07 165.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.0 t -83.43 -41.07 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -78.51 120.52 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 31.7 tttt -90.07 121.84 68.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.74 33.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 117' ' ' PRO . 4.6 p -126.0 138.78 32.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.8 Cg_endo -69.77 110.35 2.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.7 Cg_endo -69.77 176.28 6.99 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 119' ' ' THR . 13.7 t -117.3 67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -61.73 106.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' GLY . 2.8 m -103.55 96.66 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 121' ' ' SER . . . 33.96 -96.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' SER . 53.9 Cg_endo -69.7 146.16 59.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -113.98 109.81 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 t -63.47 144.25 57.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -159.05 132.87 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -87.31 -46.8 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.96 135.3 7.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.433 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -109.71 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -41.58 116.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.97 56.82 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.9 ttm -38.43 130.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.324 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB2' HD23 ' A' ' 32' ' ' LEU . 1.1 mmmp? -117.17 -53.03 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -132.32 153.4 50.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 p -150.46 165.7 32.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 167.25 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -80.68 137.01 36.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD11 ' CE2' ' A' ' 101' ' ' TRP . 87.2 mt -151.96 164.52 36.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -109.14 118.03 35.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.75 148.0 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.089 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tt -143.3 119.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -166.64 14.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -94.67 -47.61 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -89.92 -36.16 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.1 m -118.44 163.01 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.535 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.1 m0 45.2 38.64 3.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.97 -20.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.96 146.7 34.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.71 ' CZ3' HD13 ' A' ' 72' ' ' LEU . 69.8 t-105 -85.51 94.19 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -138.39 155.05 48.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 5.3 ttmt -90.6 118.62 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HD2' ' CD1' ' A' ' 22' ' ' TRP . 12.5 ptp180 -132.76 172.56 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -74.75 104.82 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 42.9 m-85 -98.5 130.09 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -129.67 128.9 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' A' ' 9' ' ' LYS . 18.4 tp -86.52 113.79 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.44 147.19 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 51.3 tt0 -103.18 106.27 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.73 -49.73 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -128.8 176.42 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 16.8 mt-30 -53.25 -35.87 60.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -130.24 30.32 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -133.77 134.47 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.545 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 16.6 m-85 -137.61 164.79 27.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -148.84 142.76 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.3 mmm -92.53 101.25 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 3.3 m -89.9 122.72 33.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -98.15 80.01 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 91.7 m-85 -67.43 104.34 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -96.37 -64.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -51.74 156.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 49' ' ' LYS . 11.0 ptmt -66.48 -53.88 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 48' ' ' LYS . 11.8 mmtp -134.01 84.11 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -173.66 171.51 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.49 151.91 91.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.79 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.286 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.24 -50.36 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 145.91 29.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.784 HD21 ' HB1' ' A' ' 41' ' ' ALA . 6.4 tt -155.89 129.71 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 55' ' ' LEU . 16.2 tp -114.67 135.47 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -99.3 119.13 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.877 ' HB3' HG22 ' A' ' 109' ' ' THR . 36.3 mt -90.02 35.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -61.71 -28.57 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.1 -27.78 0.56 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.6 m-85 -38.24 142.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.602 HG23 ' OE1' ' A' ' 111' ' ' GLN . 91.2 m -121.13 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.1 p -83.12 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -174.0 150.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 19.1 m-85 -53.87 133.66 42.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 161.6 38.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.92 160.79 72.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.67 126.71 13.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -82.86 140.85 43.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -53.0 0.81 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.71 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 9.6 mt -74.4 128.75 36.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 74' ' ' GLY . 1.7 tm-20 -115.43 -60.55 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.46 114.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.544 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.62 143.18 14.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.67 -63.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 98' ' ' ARG . . . -58.22 148.2 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 36.5 m-85 -130.26 114.53 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 2.2 p90 -142.35 131.98 23.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 42.1 p30 -134.57 161.01 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 152.03 28.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.412 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 7.7 p -114.56 127.19 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 11.0 tptm -123.54 156.14 36.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 45.2 mm-40 -34.21 -56.77 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.04 14.06 4.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.77 144.13 50.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 53.1 m -138.01 132.29 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.443 HG12 ' CE1' ' A' ' 90' ' ' PHE . 92.5 t -138.88 139.79 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 90' ' ' PHE . 44.2 mt -108.6 157.02 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 91.6 m-85 -144.94 154.79 42.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.461 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -148.16 154.01 39.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.2 t -123.4 178.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.6 -40.32 25.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 156.16 28.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.47 -55.26 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 4.5 tm0? -56.29 -31.61 63.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.45 -10.38 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.544 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 42.8 ttp180 -78.97 -43.46 24.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 99' ' ' ILE . 5.1 mp -57.17 -37.94 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -62.43 -49.08 76.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.649 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.7 m95 -70.18 -34.5 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.505 HG11 ' CE1' ' A' ' 65' ' ' TYR . 38.2 t -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.5 -54.5 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.631 ' CB ' HG11 ' A' ' 63' ' ' VAL . 40.9 mmm -54.4 -37.24 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.4 t80 -56.05 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -62.11 -33.09 73.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -56.49 -39.72 73.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.877 HG22 ' HB3' ' A' ' 58' ' ' LEU . 17.2 p -84.54 -45.06 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.21 17.42 46.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.602 ' OE1' HG23 ' A' ' 62' ' ' THR . 10.4 pt20 -47.14 172.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.8 p -97.53 -35.27 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -85.89 103.13 14.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -70.4 121.43 83.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 153.95 68.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 117' ' ' PRO . 85.1 t -129.92 138.72 33.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.076 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.1 Cg_endo -69.78 123.13 9.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.92 3.25 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.2 p -134.29 92.92 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -108.88 109.72 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.6 t -121.66 40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.05 -162.33 24.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.98 6.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.3 t -134.55 125.48 27.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.4 t -66.41 -45.42 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 m -117.8 -25.16 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 68.5 m 37.23 51.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.34 119.78 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -53.74 159.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -113.4 128.14 56.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.37 55.95 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 ttp -46.23 156.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' HB2' HD23 ' A' ' 32' ' ' LEU . 17.0 mmmt -130.08 -62.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -128.42 156.35 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -147.43 153.44 39.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.29 149.43 5.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -60.99 140.23 57.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 101' ' ' TRP . 28.8 mt -153.15 155.76 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 5.1 m95 -98.74 116.78 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -138.22 154.72 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -153.82 121.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -176.51 18.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -88.03 -34.38 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -99.53 -38.58 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.73 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.9 m -122.83 160.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.73 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.0 m-90 52.35 28.68 5.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -39.54 -30.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -94.14 159.02 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.87 ' CD2' HD22 ' A' ' 72' ' ' LEU . 70.2 t-105 -106.69 99.41 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -146.03 155.26 42.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 7.4 ttpm? -76.14 97.33 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -113.43 149.38 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.68 119.68 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.0 m-85 -115.35 138.64 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.79 123.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD23 ' HB2' ' A' ' 9' ' ' LYS . 51.8 tp -80.39 119.7 23.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.99 150.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.6 tt0 -103.66 111.91 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 t -85.11 -52.46 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -128.23 173.56 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.714 ' NE2' ' CE1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -49.13 -39.35 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.714 ' CE1' ' NE2' ' A' ' 37' ' ' GLN . 2.9 m-85 -126.42 30.8 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.1 m -133.76 142.04 47.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 21.8 m-85 -146.29 162.1 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -144.15 146.82 32.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.418 ' HG2' HD11 ' A' ' 58' ' ' LEU . 7.5 mmm -92.61 101.81 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.3 m -103.58 121.96 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -102.52 127.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -116.08 91.22 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -61.6 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.32 167.65 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -60.82 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -145.8 105.29 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.77 179.65 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.2 145.96 73.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.97 22.35 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -67.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.06 143.87 31.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.651 HD21 ' HB1' ' A' ' 41' ' ' ALA . 5.4 tt -141.42 119.91 12.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -114.87 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -86.22 122.23 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.53 ' HB3' HG22 ' A' ' 109' ' ' THR . 6.8 mt -93.37 37.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -70.76 -21.31 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.03 1.87 3.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 12.3 m-85 -75.68 148.04 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.6 m -124.2 97.96 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG11 ' CB ' ' A' ' 105' ' ' MET . 2.6 p -83.06 143.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.82 143.38 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 102' ' ' VAL . 26.3 m-85 -47.89 134.52 13.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -145.33 156.94 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 5.0 p-10 -56.37 156.46 11.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.447 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.72 102.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.544 ' HG2' HD13 ' A' ' 89' ' ' ILE . 13.9 mp0 -40.03 136.71 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.641 2.228 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.18 -58.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.87 HD22 ' CD2' ' A' ' 25' ' ' TRP . 72.4 mt -51.25 101.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.36 46.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.53 -58.23 0.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.06 -170.7 14.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.584 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 7.8 mmm180 -93.52 -71.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.699 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -64.19 141.45 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 76' ' ' ARG . 97.2 m-85 -131.41 116.3 17.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -127.65 122.66 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -115.06 153.26 31.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.44 152.4 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.0 123.76 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.7 tptm -115.8 156.37 26.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.0 mm-40 -34.3 -45.65 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.29 13.44 1.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 153.33 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 m -136.69 136.69 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.2 t -142.0 140.64 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' A' ' 69' ' ' GLN . 10.2 mt -112.6 150.15 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CE1' HG12 ' A' ' 88' ' ' VAL . 66.9 m-85 -139.67 162.76 34.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.83 174.86 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.523 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 2.8 p -147.7 170.24 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -29.81 53.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 1.2 p-10 -142.05 142.82 32.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 18.0 tt0 -47.56 -42.09 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' HA ' HD12 ' A' ' 99' ' ' ILE . 15.5 tt0 -50.22 -49.15 53.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -51.84 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.699 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 12.2 ttp180 -40.89 -42.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 96' ' ' GLN . 76.8 mt -57.93 -44.37 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.1 mt -66.05 -34.67 78.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.699 ' CE2' HD11 ' A' ' 14' ' ' LEU . 87.9 m95 -75.14 -37.42 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 98' ' ' ARG . 85.6 t -70.08 -39.25 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.48 -41.19 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.64 -55.8 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.485 ' CB ' HG11 ' A' ' 63' ' ' VAL . 94.7 mtp -54.79 -28.16 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -63.84 -58.87 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -59.8 -34.37 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.598 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -56.45 -45.98 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 58' ' ' LEU . 18.1 p -79.65 -43.8 22.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.97 35.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.503 ' NE2' ' O ' ' A' ' 113' ' ' HIS . 10.3 pt20 -48.28 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -93.04 -40.79 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.503 ' O ' ' NE2' ' A' ' 111' ' ' GLN . 93.5 m-70 -91.97 99.91 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 64.2 tttt -61.44 137.23 94.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 155.84 64.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.471 HG13 ' HD2' ' A' ' 117' ' ' PRO . 91.2 t -139.53 133.64 15.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 116' ' ' VAL . 54.2 Cg_endo -69.74 110.33 2.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.1 Cg_endo -69.75 164.94 32.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.9 p -142.45 122.87 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.86 122.74 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -170.5 141.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -155.14 -179.98 30.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 85.87 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -82.01 158.35 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.7 t -67.56 134.35 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -149.91 166.6 29.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -130.54 140.23 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.23 166.18 24.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -126.49 44.33 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.2 m -99.22 132.69 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 80.95 1.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.2 mtp -118.12 105.75 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HB2' HD23 ' A' ' 32' ' ' LEU . 2.8 mptt -87.44 -49.67 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -137.2 162.81 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' HG22 ' A' ' 31' ' ' VAL . 60.0 p -162.8 169.11 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.97 149.76 5.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -60.51 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.945 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 101' ' ' TRP . 36.2 mt -138.85 153.51 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.2 m95 -99.0 117.6 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -137.14 151.98 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.9 tt -151.35 123.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.02 -168.96 13.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -92.43 -35.37 13.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.3 -38.59 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.609 HG23 ' CE3' ' A' ' 22' ' ' TRP . 23.9 m -118.8 162.99 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.609 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 46.83 30.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -39.57 -27.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.0 tpm_? -101.05 151.68 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.9 t-105 -94.66 89.94 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 5.5 tppt? -134.09 155.07 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 19.4 tttt -81.86 103.18 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -113.67 164.5 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -80.05 97.94 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 26.2 m-85 -91.69 135.59 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' ' 11' ' ' SER . 96.9 t -134.04 130.37 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 9' ' ' LYS . 42.8 tp -79.42 120.06 23.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.0 t -116.22 146.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 48.7 tt0 -98.91 102.29 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -70.58 -58.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 -175.77 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -55.74 -38.07 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.71 35.36 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.5 m -139.28 142.64 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 28.0 m-85 -142.94 165.64 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.86 144.98 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 75.1 mmm -92.64 101.12 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.3 m -92.88 130.45 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.7 p -111.23 111.98 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -103.06 140.75 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -117.77 -63.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.33 147.07 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -47.89 -38.06 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 10.9 mmmt -151.22 107.7 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.35 -178.14 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.88 143.82 35.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.686 0.755 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 122.51 9.18 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -74.95 -75.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -76.5 128.52 34.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.751 HD21 ' HB1' ' A' ' 41' ' ' ALA . 4.7 tt -140.5 115.43 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 13.3 tp -107.71 120.8 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -87.91 121.61 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.854 ' HB3' HG22 ' A' ' 109' ' ' THR . 18.3 mt -86.54 34.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.57 -58.53 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -115.85 -22.26 4.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 28.0 m-85 -34.97 143.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.63 HG23 ' OE1' ' A' ' 111' ' ' GLN . 13.1 m -124.75 100.03 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 105' ' ' MET . 5.6 p -82.91 137.98 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -164.96 151.84 10.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -53.86 135.8 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 t -145.04 171.2 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.46 159.32 77.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 121.23 7.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -66.62 142.16 97.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.95 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.92 -58.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.69 118.71 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.53 40.38 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.06 100.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.5 163.76 24.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 17.3 ptm180 -96.71 -49.64 5.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.11 143.06 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 47.4 m-85 -127.15 109.87 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -130.57 122.36 27.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -123.55 157.3 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.14 152.06 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 6.0 p -114.77 127.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.3 tptm -117.99 157.01 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' LYS . 63.5 mm-40 -33.43 -52.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.05 15.6 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.78 150.32 49.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -138.69 128.7 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.424 HG12 ' CE1' ' A' ' 90' ' ' PHE . 38.3 t -134.14 139.31 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.03 150.39 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE1' HG12 ' A' ' 88' ' ' VAL . 53.9 m-85 -139.78 157.27 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -147.19 160.18 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.7 p -133.37 161.09 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.43 -34.21 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -117.92 147.87 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -60.92 -52.7 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -47.33 -45.81 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -48.42 -54.45 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.727 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 41.3 ttp180 -42.04 -58.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.3 mt -49.5 -52.64 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 97' ' ' ASP . 38.5 mt -51.52 -49.69 61.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.674 ' CE2' HD11 ' A' ' 14' ' ' LEU . 77.6 m95 -65.26 -36.51 84.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 98' ' ' ARG . 55.8 t -68.76 -34.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -72.2 -40.76 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.11 -53.76 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.656 ' HB2' HG11 ' A' ' 63' ' ' VAL . 94.5 mtp -56.73 -32.82 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.6 t80 -59.54 -60.91 3.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -60.78 -32.8 72.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -57.26 -45.68 83.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.854 HG22 ' HB3' ' A' ' 58' ' ' LEU . 16.0 p -78.95 -43.56 24.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.09 31.68 22.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.63 ' OE1' HG23 ' A' ' 62' ' ' THR . 5.5 pt20 -54.77 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -101.66 -38.0 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -92.78 109.38 20.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.8 tttt -70.35 131.52 88.39 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.05 46.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.388 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 117' ' ' PRO . 58.3 t -129.45 133.41 25.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 116' ' ' VAL . 54.2 Cg_endo -69.72 121.0 7.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -179.66 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.3 p -95.96 88.36 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -92.39 80.94 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 m -105.98 122.52 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -58.39 179.12 1.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -125.97 -47.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 m -118.18 -48.73 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -134.82 163.01 30.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -113.32 -48.17 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.92 -76.01 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -113.57 143.76 44.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.795 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -109.63 -49.64 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.61 115.48 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtt -124.79 138.85 54.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.721 ' HB2' HD23 ' A' ' 32' ' ' LEU . 18.4 mmtm -123.2 -52.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 101' ' ' TRP . 23.7 m-70 -139.92 131.89 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -138.9 144.86 39.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.78 165.3 14.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.56 136.25 56.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.5 mt -153.14 144.42 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 7.1 m95 -91.67 116.36 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.602 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.51 154.67 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 tt -150.14 129.73 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.53 -177.85 15.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -87.15 -44.09 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -94.28 -32.08 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.754 HG23 ' CE3' ' A' ' 22' ' ' TRP . 12.0 m -127.12 154.05 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.754 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 55.6 31.87 18.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -45.87 -27.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -98.49 142.59 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CD2' HD22 ' A' ' 72' ' ' LEU . 71.0 t-105 -88.74 95.41 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 78.5 tttt -140.85 156.9 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 16.3 ttmt -83.86 117.13 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -134.92 157.2 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.67 120.26 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -113.09 138.92 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.61 133.53 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' HB2' ' A' ' 9' ' ' LYS . 41.6 tp -88.29 105.18 17.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG2' ' SG ' ' A' ' 43' ' ' CYS . 60.6 t -101.44 135.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.554 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 36.4 tt0 -91.68 95.43 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -65.06 -61.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -116.26 168.15 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -50.68 -29.23 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -133.21 25.71 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -137.42 132.37 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 12.5 m-85 -129.97 169.1 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.79 145.35 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.514 ' HG2' HD11 ' A' ' 58' ' ' LEU . 33.1 mmm -92.04 103.27 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' CG2' ' A' ' 33' ' ' VAL . 1.9 m -95.54 117.26 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -98.46 129.88 45.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.01 120.24 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -90.46 -43.34 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -83.49 173.21 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -53.19 -49.88 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -161.67 105.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -163.88 160.48 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -47.68 142.99 6.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 136.57 33.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -92.09 -30.04 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -127.66 110.28 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 41' ' ' ALA . 8.6 tt -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 25.4 tp -119.77 110.73 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.36 122.63 24.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 109' ' ' THR . 13.8 mt -91.48 37.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.66 -32.2 69.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' C ' ' HD2' ' A' ' 83' ' ' LYS . . . -128.42 14.54 6.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -89.86 144.06 26.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.823 HG23 ' CD ' ' A' ' 111' ' ' GLN . 97.5 m -121.28 96.34 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.669 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.3 p -82.82 143.96 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -168.47 169.92 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' ' C ' ' A' ' 116' ' ' VAL . 10.1 m-85 -73.62 134.76 43.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -147.19 154.54 41.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.9 159.54 19.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.537 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.78 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -63.13 142.76 97.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.76 2.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -65.75 0.59 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 25' ' ' TRP . 61.8 mt -51.18 111.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.299 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 2.8 pm0 -109.24 37.68 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.66 125.27 5.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.34 160.09 18.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -93.7 -49.65 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.927 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -74.21 148.77 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 38.5 m-85 -131.45 111.48 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -135.6 119.96 17.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -117.94 159.7 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.75 144.83 43.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.1 t -105.95 134.09 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 18.8 tptm -126.18 153.83 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 23.7 mt-10 -34.0 -49.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.25 16.77 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.07 152.36 47.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -138.69 132.02 30.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.9 t -139.53 139.03 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 mt -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.602 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 88.0 m-85 -140.84 159.32 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . . . -147.61 159.41 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -130.67 174.88 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -31.0 56.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -145.98 154.09 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.16 -51.28 67.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -46.38 -23.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.59 -39.3 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.927 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 31.1 ttp180 -53.23 -43.55 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mt -53.65 -55.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.0 mt -49.04 -38.95 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 10' ' ' HIS . 55.4 m95 -72.52 -47.74 46.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.41 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 49.7 t -55.07 -50.6 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -53.05 -49.08 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.46 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.669 ' CB ' HG11 ' A' ' 63' ' ' VAL . 88.2 mtp -46.2 -27.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -67.79 -60.72 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -59.56 -38.55 81.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.99 -51.89 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 58' ' ' LEU . 6.8 p -75.1 -46.32 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.53 26.08 21.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.823 ' CD ' HG23 ' A' ' 62' ' ' THR . 3.4 pt20 -52.71 176.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.9 m -101.47 -38.27 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -81.18 89.86 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 7.0 ttpt -56.86 126.89 73.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 136.05 31.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.742 2.294 . . . . 0.0 112.296 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.489 ' C ' ' CE2' ' A' ' 65' ' ' TYR . 93.2 t -121.62 123.62 27.45 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 126.39 13.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.96 40.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.1 p 45.02 45.87 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -44.73 141.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 t -49.3 -61.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -147.22 152.27 24.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.2 p 54.54 25.76 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 t -43.97 -35.38 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -95.02 134.45 37.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -59.39 142.63 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.64 48.26 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -119.72 127.37 52.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -46.4 123.38 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.57 -62.51 2.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.5 mtp -69.73 134.99 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.744 ' HB2' HD23 ' A' ' 32' ' ' LEU . 43.7 mmtt -105.0 -48.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -159.7 131.37 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' HB2' HG22 ' A' ' 31' ' ' VAL . 87.6 p -126.79 151.79 47.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.8 152.36 6.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -62.52 122.39 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.389 . . . . 0.0 110.952 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 101' ' ' TRP . 80.1 mt -139.22 159.43 42.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 3.0 m95 -104.27 122.14 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -141.45 148.56 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 tt -148.63 123.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.16 -161.24 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -99.52 -44.48 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.56 -40.88 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.68 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.5 m -120.92 160.88 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 50.19 31.37 5.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.54 -27.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -100.83 150.44 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.631 ' CE3' HD22 ' A' ' 72' ' ' LEU . 74.9 t-105 -88.57 86.4 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -126.83 156.51 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 15' ' ' TRP . 30.7 ttpt -99.16 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.577 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 18.2 ptp180 -133.26 168.82 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.51 115.84 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 42.9 m-85 -111.46 125.4 53.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 11' ' ' SER . 93.4 t -119.62 133.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.744 HD23 ' HB2' ' A' ' 9' ' ' LYS . 41.8 tp -83.92 114.73 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' SG ' ' A' ' 43' ' ' CYS . 15.6 t -106.51 145.44 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 61.3 tt0 -102.15 88.16 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -53.06 -54.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 m -142.47 -175.24 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 7.1 tp-100 -43.76 -62.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 1.7 m-85 -111.65 41.72 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 m -142.16 135.27 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.759 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 22.2 m-85 -140.55 165.03 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.614 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -148.82 144.68 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.411 ' HG2' HD11 ' A' ' 58' ' ' LEU . 9.8 mmm -92.32 112.04 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.696 ' SG ' HG23 ' A' ' 33' ' ' VAL . 1.3 p -100.94 119.53 38.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 28' ' ' ARG . 91.4 p -103.28 109.44 21.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CE2' ' HD3' ' A' ' 52' ' ' PRO . 9.0 m-85 -87.28 109.96 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.21 -22.99 65.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 5.8 tp10 -140.13 172.45 12.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -58.01 -44.56 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' ALA . 8.2 ptmm? -105.64 -39.09 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . . . -34.5 130.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.64 149.17 97.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.543 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.09 -66.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.87 111.46 12.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 41' ' ' ALA . 9.7 tt -125.14 129.29 49.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 15.0 tp -110.15 134.71 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -97.02 118.3 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.689 ' HB3' HG22 ' A' ' 109' ' ' THR . 8.0 mt -90.36 35.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -37.35 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -123.31 -30.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.626 ' O ' HG21 ' A' ' 109' ' ' THR . 10.4 m-85 -34.61 142.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.714 HG23 ' CD ' ' A' ' 111' ' ' GLN . 51.5 m -124.17 95.71 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.182 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG11 ' CB ' ' A' ' 105' ' ' MET . 2.6 p -83.46 142.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -167.49 167.56 13.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 25.8 m-85 -66.32 124.2 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -133.81 169.16 17.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.88 159.35 81.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.74 117.19 4.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.26 137.56 81.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.39 -60.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.631 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.7 mt -64.78 119.05 9.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.4 mt-10 -103.62 -59.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.416 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -35.6 101.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.12 151.9 10.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -96.52 -52.38 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' A' ' 98' ' ' ARG . . . -80.49 155.48 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 86.8 m-85 -130.6 132.6 45.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -151.53 119.2 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -118.23 160.89 20.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.05 148.76 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.9 t -107.37 123.07 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 13.1 tptm -121.16 155.14 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.3 mm-40 -34.38 -55.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.22 18.71 3.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.06 147.0 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 m -137.86 122.5 18.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 90' ' ' PHE . 48.4 t -130.09 132.33 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.2 mt -105.25 141.9 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 50.2 m-85 -128.91 156.19 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.65 153.76 43.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 p -122.69 173.73 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -92.23 -37.19 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 168.57 9.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.69 -31.79 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -59.57 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -45.45 -36.77 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.668 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 19.1 ttt180 -49.74 -69.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.464 ' N ' ' HG2' ' A' ' 98' ' ' ARG . 12.4 mt -43.7 -46.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.7 -45.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.531 ' CE2' HD11 ' A' ' 14' ' ' LEU . 61.8 m95 -66.23 -44.35 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.29 -43.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.55 -60.9 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.632 ' CB ' HG11 ' A' ' 63' ' ' VAL . 90.8 mtp -47.78 -32.42 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -61.84 -53.89 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -64.25 -33.66 76.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.759 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.44 -56.59 15.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.689 HG22 ' HB3' ' A' ' 58' ' ' LEU . 19.5 p -71.72 -41.39 68.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.12 30.7 30.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.714 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.3 pt20 -54.28 174.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.2 p -91.94 -41.67 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -88.59 104.93 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -70.29 135.23 86.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.81 144.56 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.591 HG13 ' HD2' ' A' ' 117' ' ' PRO . 59.9 t -130.83 137.45 30.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.677 0.751 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.591 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.75 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.5 t -105.13 40.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -44.02 150.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.8 t -103.45 108.32 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.72 -174.96 30.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -6.65 19.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.6 t -41.01 126.08 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 p -116.4 -175.75 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -96.45 173.78 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -39.71 145.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.92 -102.87 0.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -134.75 120.88 19.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -74.84 -50.53 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.11 79.76 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.649 ' SD ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -109.06 105.35 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.716 ' HB2' HD23 ' A' ' 32' ' ' LEU . 15.5 mmtp -89.92 -35.13 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -172.04 131.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 p -121.45 155.43 34.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.76 151.38 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -66.8 140.29 57.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.868 HD11 ' CE2' ' A' ' 101' ' ' TRP . 23.3 mt -149.98 160.13 43.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.8 m95 -103.93 116.84 33.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.691 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.92 152.96 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -147.65 125.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.21 -177.17 15.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -91.18 -29.07 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -102.22 -33.28 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.786 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.2 m -133.12 153.49 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.786 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.8 m0 62.79 27.17 15.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' TRP . 22.1 mmmt -35.53 -39.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -92.66 141.15 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.89 ' CD2' HD22 ' A' ' 72' ' ' LEU . 61.1 t-105 -83.48 92.18 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -135.96 156.67 48.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HD3' ' CE2' ' A' ' 15' ' ' TRP . 24.3 ttpp -83.96 120.76 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -133.5 145.31 50.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.22 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 15.6 m-85 -91.26 135.6 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.649 HG13 ' SD ' ' A' ' 8' ' ' MET . 37.6 t -132.97 124.82 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 9' ' ' LYS . 28.1 tp -81.81 106.37 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.56 139.0 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -96.3 99.78 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.61 -53.31 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 m -132.08 -176.54 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.65 -44.76 73.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -122.03 33.72 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 6.6 m -137.62 138.89 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 35.5 m-85 -143.73 166.16 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.909 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.29 146.07 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.471 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 43.8 mmm -93.36 101.32 13.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -94.47 119.58 33.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -96.73 67.06 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -52.39 103.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -52.89 -36.02 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 14.5 tt0 -136.03 169.22 17.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -48.89 -46.53 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.1 mptp? -105.34 -44.39 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB3' ' CB ' ' A' ' 47' ' ' GLU . . . -35.71 123.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 154.13 5.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.659 0.743 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 100.07 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -49.28 -56.96 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -103.4 138.91 39.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.909 HD11 ' HB1' ' A' ' 41' ' ' ALA . 7.8 tp -140.35 128.92 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.615 ' N ' HD12 ' A' ' 55' ' ' LEU . 22.0 tp -124.3 106.82 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -70.55 137.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.671 ' HB3' HG22 ' A' ' 109' ' ' THR . 8.9 mt -101.72 35.96 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.64 43.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.63 -29.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -49.87 134.89 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.941 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.483 HG23 ' CB ' ' A' ' 111' ' ' GLN . 31.6 m -111.29 99.8 8.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.79 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.7 p -86.7 142.36 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.44 135.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.462 ' CE1' HG21 ' A' ' 102' ' ' VAL . 34.2 m-85 -42.07 120.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.596 HG21 ' ND2' ' A' ' 80' ' ' ASN . 7.0 t -127.03 166.32 17.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -60.2 155.89 42.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.76 133.37 25.39 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.819 ' HG2' HD13 ' A' ' 89' ' ' ILE . 5.3 mp0 -79.48 135.97 56.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.51 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.32 -50.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.89 HD22 ' CD2' ' A' ' 25' ' ' TRP . 23.8 mt -65.01 119.64 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 49.4 mt-10 -127.21 -29.29 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.98 -45.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.54 162.36 12.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -85.97 -69.61 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.892 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.01 154.67 18.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 57.5 m-85 -131.45 113.17 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.52 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.2 p90 -138.43 120.72 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.596 ' ND2' HG21 ' A' ' 66' ' ' THR . 39.9 p30 -120.29 161.66 20.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.16 141.64 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.76 128.29 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.3 tptp -121.99 155.55 35.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 32.4 mm-40 -34.44 -53.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.66 15.73 3.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -126.26 149.09 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -138.34 133.84 33.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.763 HG12 ' CE1' ' A' ' 90' ' ' PHE . 92.1 t -142.98 130.83 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.819 HD13 ' HG2' ' A' ' 69' ' ' GLN . 15.3 mt -103.99 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.763 ' CE1' HG12 ' A' ' 88' ' ' VAL . 45.5 m-85 -132.69 161.18 34.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.13 163.7 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -135.51 159.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.85 -49.54 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -130.16 152.36 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 22.5 tt0 -53.73 -56.59 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -46.09 -21.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -80.58 -57.39 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.892 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 7.2 ptt180 -48.3 -25.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.33 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.657 ' H ' HD12 ' A' ' 100' ' ' LEU . 5.9 mp -52.41 -38.35 58.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.868 ' CE2' HD11 ' A' ' 14' ' ' LEU . 40.9 m95 -68.71 -46.77 68.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 98' ' ' ARG . 88.0 t -60.49 -43.12 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.11 -42.95 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.98 -54.67 12.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.79 ' HB2' HG11 ' A' ' 63' ' ' VAL . 33.1 mmm -53.86 -36.53 62.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.0 t80 -59.13 -57.45 12.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -64.29 -39.93 94.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -55.04 -43.68 74.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.671 HG22 ' HB3' ' A' ' 58' ' ' LEU . 28.9 p -80.72 -45.1 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.64 35.44 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.483 ' CB ' HG23 ' A' ' 62' ' ' THR . 4.0 pt20 -59.65 177.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.8 p -91.13 -42.77 10.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -89.87 110.91 21.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.6 tttm -74.27 138.23 75.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 114' ' ' LYS . 54.0 Cg_endo -69.76 149.55 67.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.9 126.55 21.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' HA ' ' HD2' ' A' ' 118' ' ' PRO . 54.0 Cg_endo -69.73 110.53 2.57 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.4 Cg_endo -69.73 160.84 48.23 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -164.61 133.17 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -116.68 100.84 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.4 m 44.7 39.88 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.51 136.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 124' ' ' SER . 54.2 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' PRO . 13.0 p -34.52 137.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.3 t -137.38 140.18 41.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -125.99 31.7 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -126.12 151.12 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.17 158.01 26.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -85.8 86.71 7.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -164.73 155.6 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.51 -36.31 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ttm -47.78 119.55 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.78 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -93.96 -54.86 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -142.94 154.84 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.61 ' HB2' HG22 ' A' ' 31' ' ' VAL . 56.9 p -148.57 165.7 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.13 162.96 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.38 137.85 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.636 HD11 ' CE2' ' A' ' 101' ' ' TRP . 83.2 mt -153.22 160.25 42.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.522 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.0 m95 -108.43 121.76 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.713 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -144.6 158.65 43.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tt -153.4 124.93 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.74 -161.41 11.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -102.53 -35.26 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.02 -34.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.762 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.9 m -131.23 153.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.762 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.5 m-90 59.49 35.37 22.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -33.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -99.65 157.04 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 65.9 t-105 -95.03 86.81 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 157.3 42.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 25.2 ttpt -85.43 115.73 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -128.05 169.25 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -75.0 99.29 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.713 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 25.1 m-85 -92.56 118.61 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 11' ' ' SER . 89.8 t -123.53 123.58 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 9' ' ' LYS . 64.7 tp -79.3 103.56 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.72 147.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.4 tt0 -104.03 97.91 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.38 -52.27 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 p -133.86 -175.03 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -52.82 -61.74 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 1.1 m-85 -108.71 38.64 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 m -142.74 133.56 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.716 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 19.0 m-85 -138.68 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 1.033 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.14 148.63 28.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.594 ' HG2' HD11 ' A' ' 58' ' ' LEU . 83.8 mmm -96.2 102.77 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -94.0 126.86 39.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -107.4 113.37 26.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -104.98 87.91 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 ttt-85 -46.83 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.68 ' CD ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -64.83 178.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -52.0 -69.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.29 106.96 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB3' ' CD ' ' A' ' 47' ' ' GLU . . . -165.93 162.49 18.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 9.3 tt0 -38.21 141.01 0.55 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.78 119.35 6.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.21 -41.31 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -122.57 135.33 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.033 HD11 ' HB1' ' A' ' 41' ' ' ALA . 20.4 tp -136.48 136.8 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.52 ' H ' HD12 ' A' ' 55' ' ' LEU . 17.7 tp -134.69 106.99 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.94 124.05 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.594 HD11 ' HG2' ' A' ' 42' ' ' MET . 2.1 mt -98.84 38.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.59 -33.9 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.18 -4.01 7.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 83' ' ' LYS . 38.7 m-85 -69.66 144.92 52.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.655 HG23 ' CD ' ' A' ' 111' ' ' GLN . 87.4 m -121.39 99.15 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.501 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.9 p -83.31 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.4 p30 -159.16 167.81 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 52.1 m-85 -69.74 127.49 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.545 HG21 ' ND2' ' A' ' 80' ' ' ASN . 14.3 t -137.09 155.51 49.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.15 159.85 19.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.5 Cg_endo -69.76 123.72 10.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -72.12 137.74 81.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 93.14 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.92 -49.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 ' CD2' ' A' ' 25' ' ' TRP . 16.5 mt -71.6 115.96 11.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.9 tt0 -101.95 -64.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.35 114.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.99 138.46 9.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.49 -64.19 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.87 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -65.01 139.41 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 54.0 m-85 -120.05 111.22 17.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.6 p90 -135.21 127.34 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.545 ' ND2' HG21 ' A' ' 66' ' ' THR . 45.2 p30 -127.99 161.86 28.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.06 153.25 34.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.504 HG12 ' HB ' ' A' ' 62' ' ' THR . 14.6 p -116.15 138.79 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 21.5 tptm -128.38 157.03 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 83' ' ' LYS . 5.4 mm-40 -33.0 -49.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.82 15.81 2.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 150.49 49.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.0 m -138.83 131.25 28.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.606 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.0 t -135.57 142.57 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 90' ' ' PHE . 32.6 mt -111.79 152.38 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.606 ' CE1' HG12 ' A' ' 88' ' ' VAL . 58.7 m-85 -142.77 158.4 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -148.81 163.29 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 41.5 p -137.2 170.96 15.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.59 -47.2 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.01 155.98 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.58 -34.99 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -58.97 -37.93 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 100' ' ' LEU . 20.3 m-20 -60.53 -49.79 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.87 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 19.4 ttp180 -43.99 -45.16 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.6 mt -66.67 -40.33 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 97' ' ' ASP . 44.3 mt -64.71 -33.64 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.636 ' CE2' HD11 ' A' ' 14' ' ' LEU . 79.6 m95 -84.02 -38.12 21.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 98' ' ' ARG . 40.2 t -66.65 -40.85 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -67.67 -46.42 72.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.41 -52.0 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.501 ' CB ' HG11 ' A' ' 63' ' ' VAL . 94.4 mtp -58.11 -33.52 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -57.09 -59.02 5.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -57.53 -40.58 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -50.91 -50.68 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 58' ' ' LEU . 11.7 p -74.43 -41.27 61.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.07 29.68 45.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.655 ' CD ' HG23 ' A' ' 62' ' ' THR . 3.6 pt20 -54.12 168.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.5 m -80.5 -43.16 21.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -78.07 173.53 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -129.31 130.04 23.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.5 ' HB2' ' CG1' ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.8 129.65 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.628 HG23 ' HD2' ' A' ' 117' ' ' PRO . 7.6 p -118.52 138.01 25.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.628 ' HD2' HG23 ' A' ' 116' ' ' VAL . 54.1 Cg_endo -69.73 128.86 16.67 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.61 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.43 117.22 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -128.49 96.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.7 p -144.72 105.51 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 177.41 -149.09 9.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 124.91 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' SER . 71.7 m -136.22 154.73 50.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' SER . 53.6 p 35.06 41.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.697 ' HB2' HD23 ' A' ' 32' ' ' LEU . 18.4 mmmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -156.6 134.0 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -127.89 155.02 44.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.86 152.09 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -64.82 140.41 58.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.1 mt -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.0 m95 -103.02 117.94 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -145.71 148.7 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.17 125.62 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.74 -159.93 11.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -102.72 -43.7 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -93.5 -31.35 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.577 HG23 ' CE3' ' A' ' 22' ' ' TRP . 21.8 m -126.31 166.59 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.577 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.9 m-90 43.64 31.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -38.34 -38.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 151.14 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.489 ' CD2' HD22 ' A' ' 72' ' ' LEU . 50.6 t-105 -99.39 94.1 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 37.3 tttm -145.86 155.43 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.6 ttpp -67.7 106.94 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -126.02 155.93 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.29 139.61 56.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.5 m-85 -139.29 129.8 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.05 126.75 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD23 ' HB2' ' A' ' 9' ' ' LYS . 24.3 tp -85.25 109.53 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 34' ' ' GLN . 54.4 t -105.84 155.39 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.5 tt0 -104.12 105.94 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.41 -57.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -124.25 168.44 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 9.6 mt-30 -40.63 -42.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.5 38.11 4.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.85 131.72 24.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.699 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 6.6 m-85 -131.81 165.85 22.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.6 149.57 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.05 102.8 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.4 m -95.53 120.74 36.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.739 0.224 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -60.53 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -109.49 147.43 32.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.995 HD11 ' HB1' ' A' ' 41' ' ' ALA . 5.5 tp -149.24 134.37 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.797 ' N ' HD12 ' A' ' 55' ' ' LEU . 16.4 tp -132.33 108.44 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -67.68 124.35 23.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 109' ' ' THR . 45.2 mt -85.09 31.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 17.8 p-10 -78.86 76.88 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . 125.51 -41.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.1 m-85 -37.43 135.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 0.0 110.952 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.7 m -110.41 94.09 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.7 p -83.31 136.1 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -164.58 151.39 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.24 130.23 41.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 t -140.68 149.88 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.87 157.72 7.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.3 Cg_endo -69.78 107.83 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -62.94 142.75 97.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.82 -61.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 89' ' ' ILE . 34.9 mt -56.28 106.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -119.63 64.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.14 -63.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.03 179.02 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -82.89 -69.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.748 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -55.55 144.87 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.9 m-85 -128.82 129.35 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -155.56 121.65 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -119.59 156.6 30.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 61' ' ' TYR . . . -108.43 135.19 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.84 127.46 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 15.4 tptm -125.26 155.97 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.51 -55.27 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.87 15.47 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -126.61 143.57 51.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.4 m -138.72 122.75 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.7 t -129.85 140.78 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.639 HD13 HD11 ' A' ' 72' ' ' LEU . 11.3 mt -108.28 153.31 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.463 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 73.6 m-85 -140.06 150.16 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.41 149.03 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.467 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 67.0 p -122.54 -178.32 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -82.11 -32.17 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 3.4 p-10 -133.99 162.61 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 19.9 tt0 -73.35 -32.28 64.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.29 -46.76 85.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.88 -50.19 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.748 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 23.7 ttp180 -42.01 -56.32 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.7 mt -48.42 -52.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.35 -29.95 62.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.708 ' CE2' HD11 ' A' ' 14' ' ' LEU . 44.7 m95 -79.49 -42.86 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.15 -42.5 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -59.14 -40.24 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.2 -57.9 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.774 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.8 mmm -51.25 -39.71 57.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 6.7 t80 -52.16 -53.58 41.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -66.35 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.67 -41.45 70.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 61' ' ' TYR . 29.8 p -84.65 -45.05 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.43 36.61 16.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -60.56 172.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -88.25 -42.2 12.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -89.18 103.38 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 74.8 tttt -67.77 135.64 92.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.55 65.43 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.503 HG23 ' HD2' ' A' ' 117' ' ' PRO . 14.9 p -138.44 136.8 19.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.55 125.58 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -121.13 130.1 53.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.98 163.92 29.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -76.54 131.3 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 110.966 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD11 ' CE2' ' A' ' 101' ' ' TRP . 95.7 mt -146.33 158.68 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 4.6 m95 -100.8 121.53 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.1 147.88 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -146.12 125.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.92 -175.96 14.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -82.71 -52.01 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.301 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -87.81 -35.46 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.6 m -117.98 154.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.7 m-90 50.14 34.57 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -43.31 -23.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 22' ' ' TRP . 14.3 ttp180 -112.36 150.13 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 72' ' ' LEU . 73.4 t-105 -85.17 89.19 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -124.2 155.98 37.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 22.1 ttpp -97.27 107.25 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -128.75 169.62 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -71.33 128.22 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.7 m-85 -119.61 142.69 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -140.71 125.92 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -79.74 100.4 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.69 150.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 tt0 -104.99 98.41 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 t -62.79 -55.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 m -128.79 -176.05 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 28.4 mm100 -56.89 -45.0 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -117.98 24.76 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 3.9 m -130.4 144.33 51.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.481 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.5 m-85 -144.12 160.44 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 1.003 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -145.53 147.63 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.406 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 40.2 mmm -94.54 102.79 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.618 ' SG ' HD13 ' A' ' 55' ' ' LEU . 89.0 m -99.78 130.47 45.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.727 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.741 0.225 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -48.08 -47.59 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -114.87 146.61 40.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.003 HD11 ' HB1' ' A' ' 41' ' ' ALA . 15.4 tp -152.01 141.47 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 55' ' ' LEU . 19.4 tp -132.45 110.01 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -78.47 121.2 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.726 ' HB3' HG22 ' A' ' 109' ' ' THR . 21.7 mt -85.78 33.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.97 -52.8 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.03 22.1 4.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.645 ' O ' HG21 ' A' ' 109' ' ' THR . 15.2 m-85 -75.69 142.46 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.648 HG23 ' CD ' ' A' ' 111' ' ' GLN . 17.0 m -117.39 100.63 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 105' ' ' MET . 4.7 p -89.23 132.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.486 ' OD2' HG22 ' A' ' 62' ' ' THR . 1.4 m-20 -156.67 157.96 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 11.8 m-85 -64.34 136.07 56.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.408 HG21 ' ND2' ' A' ' 80' ' ' ASN . 13.1 t -147.72 166.13 28.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 155.12 85.02 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.75 107.43 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.537 ' OE1' HD12 ' A' ' 72' ' ' LEU . 15.9 mp0 -53.63 139.18 50.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.726 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.7 -60.72 0.67 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.602 HD22 ' CE3' ' A' ' 25' ' ' TRP . 34.3 mt -52.15 111.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -113.7 72.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.465 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -166.51 96.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.27 15.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -90.74 -60.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.766 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -75.65 150.2 38.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 73.4 m-85 -131.33 108.02 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 13.9 p90 -125.04 122.16 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HB3' HG23 ' A' ' 89' ' ' ILE . 36.3 p30 -117.94 158.76 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.62 153.51 32.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.444 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 3.9 p -118.19 136.15 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.5 tptm -125.85 156.74 39.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 14.2 mt-10 -34.05 -51.9 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.14 14.11 3.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.03 150.47 49.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.7 m -138.67 137.98 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 90' ' ' PHE . 33.2 t -142.53 148.64 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.531 HG21 ' OE1' ' A' ' 69' ' ' GLN . 11.6 mt -122.22 140.17 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 24.7 m-85 -130.72 159.42 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.92 156.78 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.4 p -126.55 163.92 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -69.4 -44.73 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.95 147.52 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.416 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 3.4 tm-20 -46.89 -57.03 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -44.75 -47.96 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -50.5 -52.06 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.766 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 33.9 ttp180 -47.4 -61.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -38.23 -58.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -45.94 -39.53 8.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.755 ' CE2' HD11 ' A' ' 14' ' ' LEU . 60.1 m95 -75.48 -49.66 18.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.423 HG11 ' CE1' ' A' ' 65' ' ' TYR . 39.6 t -52.87 -51.53 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -53.56 -51.72 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.66 ' HB2' HG11 ' A' ' 63' ' ' VAL . 87.2 mtp -46.28 -33.23 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -60.07 -60.35 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -59.28 -35.28 73.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.27 -47.66 68.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.726 HG22 ' HB3' ' A' ' 58' ' ' LEU . 4.9 p -79.84 -42.09 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.39 27.38 39.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.648 ' CD ' HG23 ' A' ' 62' ' ' THR . 5.4 pt20 -50.5 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -95.34 -41.84 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -85.94 109.94 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 19.0 ttpt -71.19 131.33 87.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 143.2 50.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.669 HG13 ' HD2' ' A' ' 117' ' ' PRO . 87.7 t -127.34 138.6 33.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.669 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 1.8 t60 -131.5 136.86 48.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -135.45 135.8 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.52 165.99 20.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 91.3 m-85 -74.62 142.39 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.953 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 91' ' ' ALA . 60.2 mt -154.34 159.91 41.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.525 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.3 m95 -107.86 119.85 40.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -142.45 157.12 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.11 123.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.05 12.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -102.21 -40.7 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -95.26 -39.71 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.7 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.4 m -116.28 168.7 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.7 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 41.67 38.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -55.9 -15.4 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 124.99 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.471 ' CD2' HD22 ' A' ' 72' ' ' LEU . 74.5 t-105 -71.83 100.25 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -146.55 155.89 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 47.3 tttt -78.4 102.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -118.12 168.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.55 121.99 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 48.1 m-85 -115.63 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -133.43 129.55 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.21 105.75 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 34' ' ' GLN . 59.7 t -98.48 153.62 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 65.1 tt0 -104.7 112.92 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -84.16 -58.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -124.07 -179.25 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 12.7 tp60 -46.53 -50.84 16.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 4.2 m-85 -122.13 39.34 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.41 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 4.1 m -138.65 138.57 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 19.5 m-85 -140.26 172.11 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.34 149.25 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.575 ' HG2' HD11 ' A' ' 58' ' ' LEU . 34.6 mmm -95.34 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -92.29 128.02 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.701 0.209 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -79.27 -72.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -66.33 111.99 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' A' ' 41' ' ' ALA . 2.5 tt -127.26 122.54 34.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 61' ' ' TYR . 17.7 tp -113.09 119.48 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -83.9 129.29 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.665 ' HB3' HG22 ' A' ' 109' ' ' THR . 4.2 mt -98.01 33.87 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.62 -29.97 66.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -128.85 -32.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 8.4 m-85 -34.53 141.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.71 HG23 ' CD ' ' A' ' 111' ' ' GLN . 85.4 m -119.03 95.15 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.762 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.0 p -82.8 138.57 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -163.64 164.08 24.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE1' HG11 ' A' ' 102' ' ' VAL . 24.8 m-85 -66.59 129.5 40.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -141.18 159.5 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.36 157.73 80.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 115.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.761 2.307 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -61.64 134.48 93.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.72 -53.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 25' ' ' TRP . 33.0 mt -61.24 131.54 50.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -121.16 39.79 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.63 137.11 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.45 163.45 2.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -92.66 -69.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.859 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.95 148.46 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 77.8 m-85 -129.19 112.15 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 3.3 p90 -133.47 130.37 38.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 45.0 p30 -127.3 167.89 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.96 147.18 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -107.37 127.78 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 9.6 tptm -126.97 156.07 42.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.45 -54.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.59 19.03 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.83 146.41 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 m -138.38 126.23 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.594 HG12 ' CE1' ' A' ' 90' ' ' PHE . 46.7 t -133.65 132.72 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 80' ' ' ASN . 14.9 mt -103.09 154.13 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CE1' HG12 ' A' ' 88' ' ' VAL . 26.5 m-85 -142.55 162.79 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.601 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -146.04 176.26 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -147.05 171.66 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.54 -43.6 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -122.87 154.3 38.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.96 -48.85 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -51.74 -40.65 60.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -54.7 -53.69 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.859 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 45.6 ttp180 -42.97 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ARG . 33.5 mt -36.94 -57.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -45.93 -47.15 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 77.0 m95 -66.97 -46.44 74.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 65' ' ' TYR . 37.8 t -55.64 -45.97 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -60.48 -46.75 88.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.98 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.762 ' HB2' HG11 ' A' ' 63' ' ' VAL . 84.7 mtp -43.11 -35.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.2 t80 -57.03 -58.42 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -63.4 -31.23 72.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -59.05 -46.75 87.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.665 HG22 ' HB3' ' A' ' 58' ' ' LEU . 24.3 p -79.97 -40.87 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.85 31.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.71 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.3 pt20 -56.66 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -95.62 -43.17 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.33 100.68 12.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 13.8 ttmm -62.77 138.18 96.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.09 46.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.559 HG23 ' HD2' ' A' ' 117' ' ' PRO . 9.3 p -114.94 137.39 22.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.482 ' OG ' HG13 ' A' ' 31' ' ' VAL . 42.7 m -135.58 146.51 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.55 147.69 4.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.0 m-85 -56.42 132.98 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' CE2' ' A' ' 101' ' ' TRP . 64.1 mt -149.47 138.26 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.8 m95 -83.62 126.22 32.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -147.48 148.14 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 tt -140.88 124.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.07 -177.81 16.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -86.75 -40.18 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -97.93 -35.45 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -121.03 161.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.665 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 47.64 28.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -41.37 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -103.47 139.7 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.492 ' CD2' HD22 ' A' ' 72' ' ' LEU . 70.7 t-105 -83.57 96.73 8.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -145.73 154.45 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 17.4 ttpp -73.87 120.72 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -134.96 145.48 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -60.45 104.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 12.0 m-85 -100.81 140.06 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG13 ' OG ' ' A' ' 11' ' ' SER . 62.1 t -141.83 130.68 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -82.72 118.65 23.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -111.41 151.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 58.6 tt0 -105.87 107.28 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.31 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 t -121.5 172.82 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -47.31 -39.5 14.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.15 37.49 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -140.8 133.12 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.844 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.9 m-85 -135.84 166.17 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.934 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.62 150.73 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.508 ' HG2' HD11 ' A' ' 58' ' ' LEU . 72.0 mmm -92.36 106.5 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.624 ' SG ' HD13 ' A' ' 55' ' ' LEU . 85.3 m -100.27 116.84 33.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.767 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.733 0.222 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.33 -59.04 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -93.68 137.23 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.934 HD11 ' HB1' ' A' ' 41' ' ' ALA . 18.7 tp -146.04 133.44 20.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.487 HD21 HG21 ' A' ' 88' ' ' VAL . 18.6 tp -123.63 107.3 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -74.58 125.46 28.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 109' ' ' THR . 1.7 mt -96.68 38.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.84 -21.01 63.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.25 -0.87 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.711 ' O ' HG21 ' A' ' 109' ' ' THR . 11.9 m-85 -74.11 136.09 42.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -109.18 95.09 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 105' ' ' MET . 3.7 p -83.0 142.73 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -171.7 149.88 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.0 m-85 -52.11 136.48 29.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -144.14 163.18 34.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -65.79 157.65 78.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.74 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -58.02 143.02 78.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.29 -52.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 25' ' ' TRP . 20.9 mt -68.62 123.25 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 5.6 tp10 -112.37 -61.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.3 107.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.1 144.9 16.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -90.4 -50.9 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.801 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -67.03 141.89 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 53.8 m-85 -127.89 115.41 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.2 p90 -140.15 124.52 17.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -122.87 164.26 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.39 152.58 32.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.84 125.63 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.3 tptm -123.74 155.84 37.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 28.4 mm-40 -34.48 -56.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.77 18.9 3.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.9 148.13 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -138.14 122.76 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.487 HG21 HD21 ' A' ' 56' ' ' LEU . 28.4 t -129.7 140.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 90' ' ' PHE . 23.8 mt -110.99 157.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 92.6 m-85 -143.81 153.08 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.87 150.71 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 p -123.58 -175.88 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -86.89 -41.32 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 21.0 t0 -119.8 155.68 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 46.7 tt0 -66.12 -40.21 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.587 ' HA ' HD12 ' A' ' 99' ' ' ILE . 0.7 OUTLIER -58.11 -43.34 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 100' ' ' LEU . 6.8 m-20 -55.02 -50.25 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.801 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 46.2 ttp180 -45.88 -46.71 15.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 96' ' ' GLN . 29.7 mt -55.06 -50.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 97' ' ' ASP . 19.0 mt -51.96 -46.17 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.708 ' CE2' HD11 ' A' ' 14' ' ' LEU . 68.0 m95 -67.52 -44.27 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.964 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 37.3 t -58.43 -40.48 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.06 -44.73 91.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.576 ' HB2' HG11 ' A' ' 63' ' ' VAL . 84.0 mtp -47.74 -30.84 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.7 OUTLIER -60.79 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -72.84 -36.93 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -51.83 -43.12 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.711 HG21 ' O ' ' A' ' 61' ' ' TYR . 9.8 p -81.51 -48.32 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.72 25.15 23.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -51.81 177.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.9 m -99.74 -40.16 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.8 99.29 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 34.9 tttp -63.96 135.57 96.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.91 26.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.676 HG23 ' HD2' ' A' ' 117' ' ' PRO . 5.0 p -104.53 138.66 19.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HB2' HD23 ' A' ' 32' ' ' LEU . 27.7 mmtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.763 0.316 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -125.53 154.48 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.1 p -151.14 163.29 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.08 167.26 11.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.16 128.81 34.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.886 0.374 . . . . 0.0 110.951 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD11 ' CE2' ' A' ' 101' ' ' TRP . 18.5 mt -141.98 160.86 39.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.3 m95 -99.06 117.92 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -135.88 153.18 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -148.85 127.33 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.98 -157.39 9.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.533 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -101.41 -42.82 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -93.7 -39.97 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.654 HG23 ' CE3' ' A' ' 22' ' ' TRP . 19.4 m -113.92 169.02 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.654 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.1 m-90 37.87 38.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -43.69 -22.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.9 mmt85 -106.11 164.73 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.1 t-105 -105.92 95.53 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -146.32 154.19 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 33.9 tttp -70.08 120.36 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -130.65 154.84 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -69.33 98.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 19.8 m-85 -96.49 138.77 33.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.3 t -139.0 122.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 9' ' ' LYS . 30.3 tp -79.46 103.25 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -99.12 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 61.6 tt0 -98.29 101.59 13.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 t -71.3 -61.64 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -115.6 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 16.5 tp60 -48.96 -40.94 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 2.0 m-85 -125.25 33.12 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -136.82 136.5 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.1 m-85 -138.86 163.99 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.13 149.57 30.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.85 103.73 16.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -99.24 124.91 44.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.75 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.736 0.223 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -49.52 -51.74 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -95.3 134.13 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.815 HD21 ' HB1' ' A' ' 41' ' ' ALA . 6.2 tt -149.16 115.4 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.692 HD11 ' OH ' ' A' ' 61' ' ' TYR . 21.5 tp -105.8 110.27 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.09 128.0 34.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HB3' HG22 ' A' ' 109' ' ' THR . 57.6 mt -93.43 35.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -79.95 43.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.27 -36.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.692 ' OH ' HD11 ' A' ' 56' ' ' LEU . 11.3 m-85 -39.15 144.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.498 HG23 ' CD ' ' A' ' 111' ' ' GLN . 36.6 m -115.4 93.91 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.748 HG11 ' HB2' ' A' ' 105' ' ' MET . 3.8 p -83.59 133.87 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -161.51 155.78 22.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.8 m-85 -61.47 134.69 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.419 HG21 ' ND2' ' A' ' 80' ' ' ASN . 11.4 t -146.37 162.06 39.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.68 152.83 44.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.558 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.77 105.11 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 69' ' ' GLN . 1.1 mp0 -46.77 138.05 7.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.679 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 128.24 -62.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD11 HD13 ' A' ' 89' ' ' ILE . 27.3 mt -36.03 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.64 113.71 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.415 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -177.41 -44.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.95 178.8 18.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -89.03 -61.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.759 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -69.25 144.87 53.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 78.4 m-85 -129.17 118.15 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.4 p90 -136.54 121.88 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.419 ' ND2' HG21 ' A' ' 66' ' ' THR . 33.4 p30 -111.59 173.78 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.86 139.28 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.76 126.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 12.6 tptm -124.23 156.04 37.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 83' ' ' LYS . 9.6 mm-40 -32.84 -44.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.22 24.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.23 148.21 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 m -138.73 117.51 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.588 HG12 ' CE1' ' A' ' 90' ' ' PHE . 49.9 t -131.5 140.62 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 72' ' ' LEU . 6.3 mt -111.74 153.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CE1' HG12 ' A' ' 88' ' ' VAL . 46.4 m-85 -141.73 163.03 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.527 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -147.05 174.89 11.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 45.3 p -147.39 176.53 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.66 -43.26 56.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.19 156.32 49.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 20.8 tt0 -53.79 -44.74 70.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.22 67.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -54.49 -46.07 73.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.759 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 52.5 ttp180 -47.42 -61.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.54 -61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -39.28 -40.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.598 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.1 m95 -77.83 -51.96 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.441 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 25.1 t -48.46 -49.82 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.37 -50.83 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.14 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.748 ' HB2' HG11 ' A' ' 63' ' ' VAL . 86.0 mtp -46.89 -33.0 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 7.3 t80 -59.48 -57.39 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtt-85 -64.09 -40.7 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.52 -35.13 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 105' ' ' MET . 21.8 p -89.07 -41.29 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.49 37.38 31.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.498 ' CD ' HG23 ' A' ' 62' ' ' THR . 6.6 pt20 -59.97 174.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -87.17 -45.01 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -91.97 117.3 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 19.0 tttp -76.15 134.54 70.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.08 52.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 117' ' ' PRO . 5.5 p -125.57 138.63 32.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.696 ' HB2' HD23 ' A' ' 32' ' ' LEU . 29.2 mmmt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -140.62 162.05 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.0 p -157.82 143.76 17.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.05 150.2 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -53.29 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD11 ' CE2' ' A' ' 101' ' ' TRP . 93.4 mt -151.23 159.68 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -112.58 119.44 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -141.87 154.5 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -147.53 120.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.38 -172.44 15.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -86.81 -43.1 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.85 -39.11 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG23 ' CE3' ' A' ' 22' ' ' TRP . 27.2 m -116.67 159.64 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.637 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.7 m-90 50.18 30.32 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -39.83 -31.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -105.39 147.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.643 ' CE3' HD22 ' A' ' 72' ' ' LEU . 75.1 t-105 -85.31 99.54 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.24 154.33 46.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 22.4 tttm -81.8 110.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -127.58 165.15 20.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -78.24 107.19 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 21.3 m-85 -98.65 140.2 33.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.58 141.98 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' ' 9' ' ' LYS . 46.8 tp -96.6 106.37 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.41 139.53 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -96.34 101.71 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 t -71.36 -64.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -116.92 178.52 4.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -52.68 -41.55 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -124.84 37.13 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -142.04 136.37 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 36.7 m-85 -137.65 168.4 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.82 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.89 143.16 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.402 ' HG2' HD11 ' A' ' 58' ' ' LEU . 81.3 mmm -92.27 103.14 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 m -92.44 131.83 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.735 0.223 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -57.21 -47.08 82.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -94.32 121.57 35.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.82 HD21 ' HB1' ' A' ' 41' ' ' ALA . 2.1 tt -142.61 114.43 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' CD2' HG21 ' A' ' 88' ' ' VAL . 16.7 tp -109.44 114.42 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 11.0 mt-30 -76.75 137.49 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.85 ' O ' HG22 ' A' ' 109' ' ' THR . 10.0 mt -105.54 38.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.18 -68.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.73 18.64 29.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 18.2 m-85 -75.65 150.15 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.51 HG22 ' OD2' ' A' ' 64' ' ' ASP . 9.4 m -122.19 94.49 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.778 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.5 p -82.76 135.0 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.51 ' OD2' HG22 ' A' ' 62' ' ' THR . 24.6 m-20 -158.95 -177.8 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.42 129.17 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -137.8 154.08 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.65 153.35 83.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -47.41 140.54 7.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.08 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.54 -52.71 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.643 HD22 ' CE3' ' A' ' 25' ' ' TRP . 18.5 mt -65.67 108.48 2.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -109.45 64.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.61 96.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 155.69 16.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -88.54 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.653 ' HB3' ' OG ' ' A' ' 92' ' ' SER . . . -69.07 146.08 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 40.5 m-85 -131.33 124.99 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.9 p90 -143.32 120.14 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -114.44 156.26 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.37 155.38 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.21 129.06 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 21.6 tptm -126.5 156.93 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 44.3 mm-40 -33.91 -52.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.44 18.82 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.17 144.65 50.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -135.54 137.27 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.623 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.7 t -144.99 137.9 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 mt -109.87 148.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.623 ' CE1' HG12 ' A' ' 88' ' ' VAL . 48.5 m-85 -137.72 163.38 31.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.17 162.66 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.653 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 24.6 p -135.11 167.36 21.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.12 -52.83 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.6 164.56 16.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -62.37 -46.15 89.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -51.31 -53.15 38.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.14 -52.63 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.582 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 41.3 ttp180 -44.53 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ARG . 77.1 mt -36.82 -53.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 mt -50.96 -41.14 59.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.624 ' CE2' HD11 ' A' ' 14' ' ' LEU . 67.5 m95 -73.64 -47.14 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 55.1 t -57.75 -37.84 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -67.42 -44.79 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.41 -62.15 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.778 ' HB2' HG11 ' A' ' 63' ' ' VAL . 67.1 mtp -51.6 -31.26 24.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.4 t80 -59.48 -53.62 56.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -67.73 -36.76 81.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.24 -44.39 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 58' ' ' LEU . 61.5 p -81.05 -45.42 16.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.6 32.32 13.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -54.48 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -104.46 -39.19 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -86.46 101.58 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 39.0 tttm -62.98 125.75 87.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.38 47.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 117' ' ' PRO . 85.0 t -135.83 136.96 24.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.761 ' HB2' HD23 ' A' ' 32' ' ' LEU . 23.6 mmtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.8 0.333 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 100' ' ' LEU . 22.1 m-70 -135.42 140.27 44.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.564 ' CB ' HG22 ' A' ' 31' ' ' VAL . 88.5 p -143.24 141.82 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.68 159.32 9.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.81 129.24 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 101' ' ' TRP . 96.7 mt -143.76 159.28 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.2 m95 -108.53 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -134.81 158.4 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 tt -154.22 124.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.44 -164.51 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -92.91 -43.67 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -98.35 -33.81 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG23 ' CE3' ' A' ' 22' ' ' TRP . 30.4 m -115.26 159.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.4 m-90 43.68 35.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -43.14 -27.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -105.27 149.35 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.2 t-105 -89.57 100.09 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -142.29 156.2 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 14.6 tttt -83.95 112.59 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -130.35 160.05 35.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -69.57 116.18 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 12.9 m-85 -108.93 141.49 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG22 ' CB ' ' A' ' 11' ' ' SER . 24.6 t -140.75 139.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.761 HD23 ' HB2' ' A' ' 9' ' ' LYS . 19.3 tp -93.17 105.38 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 t -98.99 140.96 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 37.3 tt0 -96.7 103.73 15.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.37 -62.2 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -113.99 170.88 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -46.82 -39.95 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.64 35.63 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -139.15 136.15 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 11.6 m-85 -135.8 166.77 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.879 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.34 149.77 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 mmm -92.47 108.15 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 m -100.02 115.16 29.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.706 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.76 0.233 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' PRO . 13.0 mt-30 -36.92 -31.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 mp0 -137.02 154.86 50.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.879 HD11 ' HB1' ' A' ' 41' ' ' ALA . 14.3 tp -154.84 129.88 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 16.3 tp -126.58 108.93 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -78.35 121.66 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.706 ' HB3' HG22 ' A' ' 109' ' ' THR . 5.1 mt -87.03 35.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -44.96 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -129.38 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.631 ' CZ ' HD11 ' A' ' 56' ' ' LEU . 17.6 m-85 -34.97 139.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.494 HG23 ' CB ' ' A' ' 111' ' ' GLN . 3.5 m -114.0 100.14 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 105' ' ' MET . 4.1 p -82.86 146.89 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.49 167.64 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' HG11 ' A' ' 102' ' ' VAL . 11.3 m-85 -76.2 136.51 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -144.93 170.18 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.9 153.32 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.74 115.57 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -66.49 141.1 96.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 108.83 2.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.47 -62.7 0.61 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -50.78 114.21 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.314 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 8.6 pt-20 -122.4 90.73 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.495 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -144.05 -56.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -174.47 13.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.514 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 30.8 ttm-85 -87.7 -67.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.78 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -62.82 146.24 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 74.6 m-85 -131.42 109.27 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -123.61 125.43 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -120.81 155.65 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.16 153.7 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.6 t -118.07 124.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.583 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 15.5 tptp -120.59 154.57 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.4 mm-40 -31.83 -44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.25 19.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.427 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -127.29 146.61 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.5 m -138.77 129.45 26.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.459 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.7 t -138.24 141.99 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mt -111.86 150.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.706 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 89.9 m-85 -138.55 161.94 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.73 150.19 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.2 p -123.47 171.58 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -72.04 -49.47 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.58 152.69 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.99 -26.68 66.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -65.79 -45.02 83.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.2 m-20 -56.03 -51.14 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.78 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 14.3 ttp180 -39.23 -49.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.6 mt -59.3 -46.86 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 13.5 mt -53.91 -30.74 47.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.7 ' CE2' HD11 ' A' ' 14' ' ' LEU . 78.1 m95 -85.04 -46.39 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.556 HG11 ' CE1' ' A' ' 65' ' ' TYR . 97.3 t -57.65 -45.73 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -60.32 -46.96 88.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.715 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.1 mtp -47.93 -33.22 7.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.2 t80 -56.41 -47.03 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -75.91 -34.01 59.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -59.73 -36.52 76.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 58' ' ' LEU . 16.3 p -88.33 -38.99 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.38 34.57 44.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.494 ' CB ' HG23 ' A' ' 62' ' ' THR . 23.9 pt20 -56.04 177.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -101.06 -21.64 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 70.5 t60 -104.06 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -70.62 124.3 90.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.24 37.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.579 HG23 ' HD2' ' A' ' 117' ' ' PRO . 8.2 p -121.7 137.36 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.712 ' HB2' HD23 ' A' ' 32' ' ' LEU . 66.0 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -160.17 148.94 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 p -147.36 175.2 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.64 146.06 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -51.52 131.1 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 101' ' ' TRP . 90.4 mt -143.99 160.25 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.1 m95 -107.93 118.91 37.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.42 156.79 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.7 tt -148.93 133.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.64 -169.74 12.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -93.88 -39.51 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.96 -24.05 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' LYS . 24.0 m -127.85 165.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.477 ' NE1' ' HB2' ' A' ' 54' ' ' GLU . 4.5 m-90 37.11 29.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' VAL . 69.0 mttt -41.87 -28.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -99.69 136.26 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.748 ' CE3' HD22 ' A' ' 72' ' ' LEU . 75.8 t-105 -77.09 98.79 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -141.26 156.55 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 5.6 ttpp -88.5 112.06 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -130.76 160.12 35.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.05 125.31 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 15.5 m-85 -116.57 137.35 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.26 122.5 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 9' ' ' LYS . 20.2 tp -80.57 105.55 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.3 t -93.39 137.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 38.1 tt0 -88.43 95.36 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 t -67.02 -66.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -113.76 -176.94 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -53.62 -47.17 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.89 27.5 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -128.9 138.58 52.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 43.6 m-85 -137.65 168.63 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.854 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.12 146.68 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.0 mmt -93.74 104.81 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 119.29 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.785 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.746 0.228 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.62 -48.19 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 25.8 mp0 -105.4 132.01 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.854 HD21 ' HB1' ' A' ' 41' ' ' ALA . 5.0 tt -142.09 114.34 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.85 116.82 32.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.06 128.78 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 109' ' ' THR . 3.6 mt -98.24 37.57 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.6 -21.83 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.4 14.96 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 13.0 m-85 -80.72 142.72 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.441 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.8 m -112.34 95.26 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.733 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.4 p -84.34 128.9 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.21 165.54 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 24.5 m-85 -67.89 141.32 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 170.75 16.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.05 158.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.74 109.12 2.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.54 139.01 97.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 93.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.4 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 152.45 -46.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.748 HD22 ' CE3' ' A' ' 25' ' ' TRP . 56.3 mt -70.1 108.78 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -124.35 64.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -123.12 -43.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.42 -172.84 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -95.49 -69.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 95' ' ' GLU . . . -55.95 145.06 26.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 34.1 m-85 -130.41 121.5 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 6.2 p90 -147.46 126.59 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -126.0 154.69 42.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.14 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.0 t -106.7 127.02 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 12.8 tptm -118.45 156.91 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.9 mt-10 -33.59 -49.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.61 11.39 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.51 149.12 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 m -138.71 139.26 38.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 90' ' ' PHE . 70.3 t -144.74 138.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 mt -107.28 152.71 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 88' ' ' VAL . 66.0 m-85 -142.64 156.24 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.03 31.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.42 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 6.1 t -119.52 -179.97 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 97' ' ' ASP . 0.7 OUTLIER -142.42 162.45 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 10.2 tm-20 -64.12 -38.64 91.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -55.74 -41.16 73.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 73.2 m-20 -63.97 -52.45 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.497 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 33.2 ttp180 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.52 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.428 ' H ' HD12 ' A' ' 100' ' ' LEU . 7.3 mp -56.19 -36.54 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.578 ' CE2' HD11 ' A' ' 14' ' ' LEU . 50.5 m95 -71.83 -43.22 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.96 -45.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.82 -47.1 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.48 -57.55 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.733 ' CB ' HG11 ' A' ' 63' ' ' VAL . 40.3 mmm -51.65 -38.84 56.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 10.8 t80 -55.62 -57.62 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -62.28 -39.15 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 40' ' ' PHE . . . -55.59 -40.85 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' ' 58' ' ' LEU . 46.0 p -79.75 -46.74 16.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.5 34.65 9.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.415 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 4.1 pt20 -67.22 170.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -101.28 -27.54 13.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -86.06 69.86 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 16.6 tttm -40.86 123.4 1.94 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.408 ' CD ' ' CD1' ' A' ' 106' ' ' TYR . 53.6 Cg_endo -69.74 142.55 48.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 117' ' ' PRO . 99.6 t -115.06 138.91 23.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.05 157.02 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -157.5 158.11 35.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 159.41 8.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.65 135.01 54.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.957 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 101' ' ' TRP . 34.1 mt -152.75 141.77 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.631 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 7.5 m95 -86.5 118.01 25.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.98 149.13 42.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.51 124.23 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.53 177.42 16.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -45.17 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -90.47 -39.91 12.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.72 HG23 ' CE3' ' A' ' 22' ' ' TRP . 25.2 m -118.68 155.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.72 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.4 m-90 51.25 38.08 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -47.47 -26.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -101.62 149.88 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.671 ' CD2' HD22 ' A' ' 72' ' ' LEU . 72.8 t-105 -87.3 95.4 9.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 34.6 tptt -140.61 152.63 45.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 16.2 ttmt -89.1 117.74 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.95 169.56 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.5 126.57 29.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 18.1 m-85 -124.44 125.31 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.33 135.36 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.201 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -85.72 106.94 17.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.87 137.17 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 41.9 tt0 -95.47 96.18 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.89 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 p -135.16 -175.11 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -46.27 -59.58 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.06 41.31 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.426 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.4 m -142.25 137.32 30.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 23.0 m-85 -142.72 168.19 20.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.8 143.62 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 78.8 mmm -92.39 104.17 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.432 ' SG ' HD13 ' A' ' 55' ' ' LEU . 3.8 m -94.22 128.77 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.733 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.699 0.208 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' C ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -47.22 -61.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 33.6 mp0 -100.07 130.76 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.803 HD11 ' HB1' ' A' ' 41' ' ' ALA . 22.9 tp -131.26 140.45 49.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 55' ' ' LEU . 23.1 tp -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.74 136.71 53.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' HB3' HG22 ' A' ' 109' ' ' THR . 62.5 mt -98.56 30.51 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.34 80.47 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.96 -34.45 3.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.8 m-85 -45.42 140.03 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.436 HG22 ' OD2' ' A' ' 64' ' ' ASP . 5.2 m -111.62 95.79 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 105' ' ' MET . 7.5 p -84.08 138.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.2 m-20 -164.2 167.73 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -69.08 135.49 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -145.13 154.44 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.28 161.58 48.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.8 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -53.37 139.5 47.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.19 -54.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.671 HD22 ' CD2' ' A' ' 25' ' ' TRP . 13.8 mt -68.63 143.27 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -128.54 -54.8 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.56 134.99 3.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -85.67 -53.97 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.54 144.56 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.1 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.0 p90 -149.39 127.15 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 56.1 p30 -125.22 168.31 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.82 149.33 40.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.1 t -109.61 128.27 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 12.7 tptm -128.59 156.36 43.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.6 mt-10 -33.66 -58.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.7 21.18 3.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.02 146.45 50.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.4 m -138.59 129.64 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.19 131.74 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 90' ' ' PHE . 13.0 mt -103.35 156.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 91.3 m-85 -142.45 154.64 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . . . -148.93 146.63 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.41 ' HA ' HD23 ' A' ' 14' ' ' LEU . 76.4 p -118.57 172.77 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.51 -49.25 50.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -119.49 148.05 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 44.8 tt0 -50.49 -44.66 55.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -50.11 -56.45 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.05 -53.15 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.725 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 50.4 ttp180 -43.87 -64.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.598 HG22 ' OE1' ' A' ' 103' ' ' GLN . 50.7 mt -36.79 -62.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.1 mt -44.94 -45.93 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.559 ' CE2' HD11 ' A' ' 14' ' ' LEU . 71.5 m95 -65.16 -50.17 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.26 -40.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.598 ' OE1' HG22 ' A' ' 99' ' ' ILE . 56.3 mt-30 -63.33 -44.14 95.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.31 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.54 ' HB2' HG11 ' A' ' 63' ' ' VAL . 81.6 mtp -47.68 -37.56 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -51.72 -48.36 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -75.89 -40.94 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.49 -38.16 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 58' ' ' LEU . 60.1 p -75.85 -51.05 13.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.65 31.22 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.59 -176.35 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -128.45 12.74 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 114' ' ' LYS . 60.2 m-70 -106.26 60.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 113' ' ' HIS . 6.5 mtpm? -33.89 97.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 113' ' ' HIS . 53.9 Cg_endo -69.77 143.72 51.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.441 HG23 ' HD2' ' A' ' 117' ' ' PRO . 6.3 p -128.21 133.0 24.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HB2' HD23 ' A' ' 32' ' ' LEU . 28.3 mmtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.779 0.323 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.588 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 3.2 m-70 -111.65 166.89 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.3 p -174.96 127.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.61 157.05 9.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -61.58 133.04 55.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.985 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.5 mt -151.07 162.25 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -109.22 116.77 32.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -134.38 155.24 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.3 129.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.47 -171.73 13.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.61 -41.67 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -97.69 -38.69 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.677 HG23 ' CE3' ' A' ' 22' ' ' TRP . 16.6 m -113.98 158.48 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.677 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.2 m-90 46.77 33.27 2.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -39.26 -29.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -104.24 163.37 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.706 ' CE3' HD22 ' A' ' 72' ' ' LEU . 66.4 t-105 -103.94 101.97 11.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -146.73 157.36 43.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.8 ttpp -76.19 113.66 13.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 28' ' ' ARG . 15.5 ttm105 -131.47 167.56 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -82.53 116.08 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.656 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 40.4 m-85 -112.49 136.06 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.26 129.81 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 9' ' ' LYS . 32.6 tp -84.36 103.08 13.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -95.64 136.28 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.0 tt0 -89.75 101.03 13.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.92 -62.08 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -118.09 175.34 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -50.18 -41.28 49.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.9 33.38 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 m -139.19 133.05 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 15.3 m-85 -134.06 169.95 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -151.98 144.09 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.591 ' HG2' HD11 ' A' ' 58' ' ' LEU . 82.0 mmm -91.96 101.06 13.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.7 m -90.95 139.32 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.722 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.698 0.207 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -40.37 -49.72 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 12.5 mp0 -123.9 132.07 53.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 5.4 tt -134.44 113.27 11.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.84 120.65 42.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -81.43 126.21 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.803 ' O ' HG22 ' A' ' 109' ' ' THR . 9.1 mt -97.84 40.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.72 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.38 4.51 62.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-85 -60.65 146.33 45.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.44 HG23 ' CD ' ' A' ' 111' ' ' GLN . 56.0 m -124.62 96.97 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 ' HB2' ' A' ' 105' ' ' MET . 2.1 p -83.82 141.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -168.4 148.48 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 12.7 m-85 -49.85 139.24 13.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 t -145.46 160.66 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.5 156.64 91.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.77 98.44 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.46 138.41 49.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 93.35 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.69 -54.81 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.706 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.4 mt -61.39 129.18 39.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.23 68.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -169.73 91.32 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.7 155.98 9.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -93.32 -51.48 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.775 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -73.74 147.16 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 68' ' ' PRO . 30.4 m-85 -131.45 127.98 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 7.3 p90 -153.89 126.65 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -123.1 160.69 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.21 155.48 21.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.6 t -118.09 125.82 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 21.1 tptm -125.68 156.83 38.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.8 mt-10 -33.67 -60.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.58 20.14 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.93 146.69 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 m -138.88 132.97 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 90' ' ' PHE . 63.2 t -141.24 139.48 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.4 mt -110.73 147.24 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.628 ' CE1' HG12 ' A' ' 88' ' ' VAL . 23.3 m-85 -134.81 163.76 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.07 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 1.9 m -140.56 162.97 34.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -81.02 -39.2 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.12 136.44 53.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.05 -32.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -49.13 77.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.775 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 44.5 ttp180 -43.96 -58.51 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mt -46.39 -59.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.84 -48.07 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 65.4 m95 -63.26 -47.25 83.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 65' ' ' TYR . 50.4 t -57.31 -35.07 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.32 -43.08 71.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 -60.46 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.664 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.6 mtp -50.32 -34.44 23.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.13 -56.59 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.6 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.471 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -56.86 -44.19 81.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 58' ' ' LEU . 71.1 p -80.63 -44.74 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.4 24.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.44 ' CD ' HG23 ' A' ' 62' ' ' THR . 11.2 pt20 -50.61 -178.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -94.66 -38.92 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -83.95 -178.16 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -135.27 122.86 15.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.84 33.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.646 HG23 ' HD2' ' A' ' 117' ' ' PRO . 6.6 p -119.5 138.36 26.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.478 ' CD2' ' H ' ' A' ' 11' ' ' SER . 3.0 t60 -126.05 169.19 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.478 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 59.7 p -160.91 154.9 22.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.37 156.75 7.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.24 137.11 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.962 0.41 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 101' ' ' TRP . 49.9 mt -152.6 160.18 43.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -108.34 117.67 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -140.66 156.48 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.068 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.2 tt -148.72 128.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.12 -164.41 12.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -96.91 -44.69 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.01 -35.79 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG23 ' CE3' ' A' ' 22' ' ' TRP . 32.2 m -119.76 162.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.493 ' CD1' ' OE1' ' A' ' 54' ' ' GLU . 4.8 m-90 44.59 31.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -42.3 -24.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' TRP . 55.7 mtm-85 -104.86 143.99 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.8 t-105 -84.16 84.71 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -128.34 157.28 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 21.2 ttpp -87.85 117.85 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -134.52 160.94 36.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.32 104.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.8 m-85 -99.74 135.38 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 11' ' ' SER . 93.6 t -138.28 143.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.36 114.89 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.65 141.37 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 18.5 tt0 -96.13 106.88 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 -57.11 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -120.44 166.35 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -40.95 -46.32 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m-85 -122.63 39.51 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -142.75 132.29 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.47 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 14.7 m-85 -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 1.076 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -150.79 148.96 29.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.693 ' HG2' HD11 ' A' ' 58' ' ' LEU . 16.4 mmm -95.01 104.42 16.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.6 m -93.84 123.03 36.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.77 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.097 0 CA-C-O 120.76 0.233 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.42 -48.39 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' OE1' ' CD1' ' A' ' 22' ' ' TRP . 14.9 mt-10 -110.42 149.47 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.076 HD11 ' HB1' ' A' ' 41' ' ' ALA . 8.0 tp -153.04 135.99 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.73 ' N ' HD12 ' A' ' 55' ' ' LEU . 17.0 tp -129.5 110.28 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.47 117.25 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.695 ' HB3' HG22 ' A' ' 109' ' ' THR . 12.3 mt -92.16 37.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -65.24 -28.85 69.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.56 -22.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.6 m-85 -45.61 142.06 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.462 HG23 ' CB ' ' A' ' 111' ' ' GLN . 25.9 m -120.86 96.51 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.466 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.4 p -82.82 149.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -173.38 176.42 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 45.7 m-85 -79.84 136.35 36.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -149.37 153.79 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 156.63 9.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.3 Cg_endo -69.68 111.07 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.79 122.29 70.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 73' ' ' GLU . . . 168.8 -47.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 44.2 mt -66.24 140.66 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 14.9 mp0 -126.0 97.34 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.4 102.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.73 158.09 23.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -96.88 -62.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.647 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.87 147.2 43.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 52.1 m-85 -131.38 117.96 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -141.53 121.27 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -118.16 165.06 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.14 149.69 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.39 128.87 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.1 tptm -124.76 155.38 39.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.6 mm-40 -34.46 -52.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.65 17.44 3.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.35 149.37 49.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.3 m -138.56 134.41 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.538 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.5 t -144.02 139.73 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 90' ' ' PHE . 10.2 mt -110.83 153.37 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.56 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 25.6 m-85 -138.46 159.59 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.45 151.47 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 80.9 p -121.17 174.73 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.77 -23.81 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -151.98 162.87 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.58 -14.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -87.25 -49.16 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . 7.2 ptt180 -54.63 -25.84 29.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.46 -51.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.79 -43.62 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.47 ' CE2' HD11 ' A' ' 14' ' ' LEU . 53.0 m95 -72.63 -36.35 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ARG . 45.6 t -68.99 -32.92 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.19 -40.27 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.32 -49.75 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.466 ' CB ' HG11 ' A' ' 63' ' ' VAL . 96.9 mtp -59.26 -29.69 67.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -62.98 -56.86 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -64.19 -35.55 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -51.69 -48.17 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 58' ' ' LEU . 30.4 p -76.04 -47.34 25.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.55 33.61 8.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.462 ' CB ' HG23 ' A' ' 62' ' ' THR . 4.6 pt20 -60.58 166.23 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.2 t -84.21 -41.44 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -91.39 112.87 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 20.1 ttmt -74.4 134.81 76.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 148.3 65.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 117' ' ' PRO . 87.9 t -134.01 138.7 31.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 111.174 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -141.16 160.19 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -156.23 141.89 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.13 152.76 6.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.67 132.45 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.789 HD11 ' CE2' ' A' ' 101' ' ' TRP . 41.9 mt -145.72 166.9 24.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -109.69 116.42 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -134.39 151.39 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -145.52 119.03 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.88 12.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -100.59 -44.77 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.34 -26.47 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.3 m -127.26 162.46 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.605 ' HZ3' HD22 ' A' ' 56' ' ' LEU . 4.9 m-90 44.2 27.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -41.0 -27.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -101.75 135.53 43.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 70.0 t-105 -79.04 100.79 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 28.8 tttm -146.21 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 43.4 tttm -78.46 106.46 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -124.07 162.34 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 22.2 t80 -70.28 120.0 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 m-85 -114.93 132.79 56.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 88.9 t -140.03 123.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -80.98 123.03 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 34' ' ' GLN . 57.5 t -118.18 155.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG3' ' CE1' ' A' ' 40' ' ' PHE . 60.1 tt0 -102.23 98.69 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 t -67.88 -64.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -118.49 170.04 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -42.68 -42.5 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -126.85 36.87 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.09 132.15 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 13.7 m-85 -132.72 161.92 32.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.843 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -147.67 149.64 32.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmm -93.13 101.15 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.8 m -91.19 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.72 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.75 0.229 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -73.22 -70.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' CD ' ' CD1' ' A' ' 22' ' ' TRP . 9.4 mt-10 -67.96 101.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 41' ' ' ALA . 3.7 tt -116.96 129.64 56.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.605 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 18.1 tp -120.41 110.98 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.48 115.53 20.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HB3' HG22 ' A' ' 109' ' ' THR . 22.4 mt -82.73 37.48 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -49.27 -48.47 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.51 16.14 3.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.953 ' O ' HG21 ' A' ' 109' ' ' THR . 7.4 m-85 -71.21 104.64 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.979 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -78.34 95.75 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.745 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.5 p -85.07 134.52 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.06 164.68 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.442 ' CE2' HG11 ' A' ' 102' ' ' VAL . 16.1 m-85 -62.91 142.13 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.4 HG21 ' CG ' ' A' ' 80' ' ' ASN . 9.8 t -151.6 150.79 30.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.37 152.51 8.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.563 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.0 Cg_endo -69.73 103.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 89' ' ' ILE . 99.1 mm-40 -49.1 139.28 12.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.44 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.45 -59.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.511 HD22 ' CD2' ' A' ' 25' ' ' TRP . 34.6 mt -54.34 116.19 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.31 38.46 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . -122.43 74.91 0.37 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.82 166.28 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -96.35 -51.63 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.809 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -74.57 143.86 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 87.4 m-85 -130.99 116.6 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.583 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.7 p90 -136.82 122.88 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' CG ' HG21 ' A' ' 66' ' ' THR . 57.2 p30 -118.72 164.3 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.64 146.09 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -106.21 129.65 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 14.7 tptp -128.09 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 53.1 mm-40 -34.37 -53.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.63 19.23 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.96 148.46 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 m -138.74 128.9 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.3 t -134.72 138.05 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 69' ' ' GLN . 16.7 mt -114.07 143.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 53.0 m-85 -129.16 164.29 23.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.52 162.13 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 2.0 m -136.75 165.89 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.28 -41.67 18.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.86 129.39 54.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -45.24 -42.05 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.54 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -52.47 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.809 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 18.1 ttp180 -41.51 -66.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ARG . 53.1 mt -37.46 -53.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.49 -41.92 63.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.789 ' CE2' HD11 ' A' ' 14' ' ' LEU . 83.2 m95 -70.14 -42.6 72.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 115' ' ' PRO . 58.8 t -64.88 -35.83 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -69.47 -43.13 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.41 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.745 ' CB ' HG11 ' A' ' 63' ' ' VAL . 93.2 mtp -48.98 -33.69 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.8 t80 -57.95 -48.5 79.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -70.56 -38.83 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.98 -40.28 69.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.953 HG21 ' O ' ' A' ' 61' ' ' TYR . 63.9 p -84.74 -45.68 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.08 10.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.59 178.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -100.12 -34.43 10.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -94.9 90.6 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 35.4 tttt -53.58 139.36 49.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.48 ' HB2' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.75 134.74 28.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.33 125.22 28.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HB2' HD23 ' A' ' 32' ' ' LEU . 10.6 mtmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -145.78 150.12 35.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -148.6 168.36 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.54 159.26 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.48 137.71 56.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 101' ' ' TRP . 89.4 mt -147.07 163.71 35.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.528 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 1.7 m95 -108.69 116.84 32.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -142.51 155.45 45.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 tt -151.08 132.37 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.28 -160.28 10.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' CE ' ' H ' ' A' ' 87' ' ' THR . 6.7 mtmp? -104.66 -33.57 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -97.83 -37.73 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.776 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -127.51 162.51 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.776 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 50.37 33.14 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -46.74 -28.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -95.48 134.0 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.523 ' CD2' HD22 ' A' ' 72' ' ' LEU . 66.6 t-105 -81.93 88.62 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -141.05 155.55 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 18.1 ttpp -75.06 122.82 24.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -134.75 156.63 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.54 109.52 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -104.53 142.85 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -143.21 123.27 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 9' ' ' LYS . 26.0 tp -82.24 103.73 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 34' ' ' GLN . 95.9 t -97.07 156.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 58.7 tt0 -103.63 113.29 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -86.09 -62.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 m -117.7 175.96 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -44.88 -49.74 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -122.29 36.46 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 m -137.66 142.43 41.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 31.6 m-85 -141.61 173.84 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.78 146.81 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.634 ' HG2' HD11 ' A' ' 58' ' ' LEU . 20.3 mmm -93.28 101.11 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 29.0 m -92.13 120.46 32.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -179.7 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.736 0.224 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.73 -68.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -72.16 120.18 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD21 ' HB1' ' A' ' 41' ' ' ALA . 7.0 tt -133.61 129.58 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 18.5 tp -120.06 110.32 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.49 121.46 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD11 ' HG2' ' A' ' 42' ' ' MET . 8.4 mt -91.28 34.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.29 -22.72 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.94 -26.19 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 14.6 m-85 -48.16 147.27 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.843 HG23 ' CD ' ' A' ' 111' ' ' GLN . 90.7 m -124.07 100.0 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.479 HG11 ' HB2' ' A' ' 105' ' ' MET . 2.7 p -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.86 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -72.14 130.47 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.441 HG21 ' ND2' ' A' ' 80' ' ' ASN . 9.9 t -138.28 175.06 9.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.5 154.08 78.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.2 Cg_endo -69.7 107.77 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.487 ' HG3' HD13 ' A' ' 89' ' ' ILE . 60.5 mm-40 -56.34 137.19 75.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 99.21 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.68 -60.73 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 25' ' ' TRP . 25.5 mt -60.01 133.68 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 38.3 mt-10 -118.67 -64.32 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.59 101.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.4 131.4 4.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -80.02 -49.71 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.648 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.04 148.15 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 68.8 m-85 -128.18 116.29 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -143.91 128.45 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' ND2' HG21 ' A' ' 66' ' ' THR . 29.3 p30 -126.13 163.13 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.9 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -107.29 123.4 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 18.1 tptt -120.2 154.33 35.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' LYS . 15.1 mt-10 -34.51 -53.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.97 16.51 3.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -125.84 150.6 47.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.42 ' H ' ' CE ' ' A' ' 19' ' ' LYS . 17.0 m -138.61 134.34 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 90' ' ' PHE . 25.4 t -141.68 128.42 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.487 HD13 ' HG3' ' A' ' 69' ' ' GLN . 46.9 mt -99.36 149.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 66.9 m-85 -138.46 156.49 47.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.21 165.61 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.55 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 97.5 p -137.57 164.08 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.12 -31.42 61.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -130.13 160.54 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.44 -46.82 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.99 -31.28 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.559 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -66.09 -47.48 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.648 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 46.3 ttp180 -49.65 -59.49 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.5 mt -48.17 -40.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 97' ' ' ASP . 11.9 mt -65.0 -44.49 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.628 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -68.82 -34.08 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.57 -35.05 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -74.6 -35.54 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.51 -52.28 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.479 ' HB2' HG11 ' A' ' 63' ' ' VAL . 88.2 mtp -58.95 -34.41 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.8 t80 -57.73 -55.81 30.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -61.64 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -67.36 -40.4 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 58' ' ' LEU . 8.0 p -84.13 -35.72 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.49 74.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.843 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.1 pt20 -48.07 165.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.0 t -83.43 -41.07 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -78.51 120.52 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 31.7 tttt -90.07 121.84 68.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.74 33.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 117' ' ' PRO . 4.6 p -126.0 138.78 32.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB2' HD23 ' A' ' 32' ' ' LEU . 1.1 mmmp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -132.32 153.4 50.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 p -150.46 165.7 32.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 167.25 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -80.68 137.01 36.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.649 HD11 ' CE2' ' A' ' 101' ' ' TRP . 87.2 mt -151.96 164.52 36.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -109.14 118.03 35.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.75 148.0 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.089 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tt -143.3 119.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -166.64 14.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -94.67 -47.61 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -89.92 -36.16 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.1 m -118.44 163.01 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.535 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.1 m0 45.2 38.64 3.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.97 -20.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.96 146.7 34.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.71 ' CZ3' HD13 ' A' ' 72' ' ' LEU . 69.8 t-105 -85.51 94.19 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -138.39 155.05 48.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 5.3 ttmt -90.6 118.62 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HD2' ' CD1' ' A' ' 22' ' ' TRP . 12.5 ptp180 -132.76 172.56 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -74.75 104.82 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 42.9 m-85 -98.5 130.09 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -129.67 128.9 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' A' ' 9' ' ' LYS . 18.4 tp -86.52 113.79 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.44 147.19 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 51.3 tt0 -103.18 106.27 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.73 -49.73 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -128.8 176.42 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 16.8 mt-30 -53.25 -35.87 60.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -130.24 30.32 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -133.77 134.47 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.545 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 16.6 m-85 -137.61 164.79 27.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -148.84 142.76 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.3 mmm -92.53 101.25 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 3.3 m -89.9 122.72 33.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.678 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.789 0.245 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.24 -50.36 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 145.91 29.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.784 HD21 ' HB1' ' A' ' 41' ' ' ALA . 6.4 tt -155.89 129.71 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 55' ' ' LEU . 16.2 tp -114.67 135.47 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -99.3 119.13 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.877 ' HB3' HG22 ' A' ' 109' ' ' THR . 36.3 mt -90.02 35.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -61.71 -28.57 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.1 -27.78 0.56 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.6 m-85 -38.24 142.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.602 HG23 ' OE1' ' A' ' 111' ' ' GLN . 91.2 m -121.13 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.1 p -83.12 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -174.0 150.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 19.1 m-85 -53.87 133.66 42.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 161.6 38.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.92 160.79 72.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.67 126.71 13.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -82.86 140.85 43.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -53.0 0.81 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.71 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 9.6 mt -74.4 128.75 36.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 74' ' ' GLY . 1.7 tm-20 -115.43 -60.55 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.46 114.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.544 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.62 143.18 14.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.67 -63.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 98' ' ' ARG . . . -58.22 148.2 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 36.5 m-85 -130.26 114.53 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 2.2 p90 -142.35 131.98 23.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.43 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 42.1 p30 -134.57 161.01 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 152.03 28.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.412 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 7.7 p -114.56 127.19 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 11.0 tptm -123.54 156.14 36.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 45.2 mm-40 -34.21 -56.77 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.04 14.06 4.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.77 144.13 50.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 53.1 m -138.01 132.29 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.443 HG12 ' CE1' ' A' ' 90' ' ' PHE . 92.5 t -138.88 139.79 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 90' ' ' PHE . 44.2 mt -108.6 157.02 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 91.6 m-85 -144.94 154.79 42.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.461 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -148.16 154.01 39.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.2 t -123.4 178.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.6 -40.32 25.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 156.16 28.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.47 -55.26 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 4.5 tm0? -56.29 -31.61 63.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.45 -10.38 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.544 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 42.8 ttp180 -78.97 -43.46 24.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 99' ' ' ILE . 5.1 mp -57.17 -37.94 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -62.43 -49.08 76.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.649 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.7 m95 -70.18 -34.5 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.505 HG11 ' CE1' ' A' ' 65' ' ' TYR . 38.2 t -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.5 -54.5 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.631 ' CB ' HG11 ' A' ' 63' ' ' VAL . 40.9 mmm -54.4 -37.24 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.4 t80 -56.05 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -62.11 -33.09 73.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -56.49 -39.72 73.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.877 HG22 ' HB3' ' A' ' 58' ' ' LEU . 17.2 p -84.54 -45.06 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.21 17.42 46.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.602 ' OE1' HG23 ' A' ' 62' ' ' THR . 10.4 pt20 -47.14 172.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.8 p -97.53 -35.27 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -85.89 103.13 14.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -70.4 121.43 83.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 153.95 68.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 117' ' ' PRO . 85.1 t -129.92 138.72 33.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.076 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.619 ' HB2' HD23 ' A' ' 32' ' ' LEU . 17.0 mmmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -128.42 156.35 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -147.43 153.44 39.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.29 149.43 5.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -60.99 140.23 57.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 101' ' ' TRP . 28.8 mt -153.15 155.76 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 5.1 m95 -98.74 116.78 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -138.22 154.72 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -153.82 121.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -176.51 18.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -88.03 -34.38 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -99.53 -38.58 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.73 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.9 m -122.83 160.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.73 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.0 m-90 52.35 28.68 5.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -39.54 -30.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -94.14 159.02 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.87 ' CD2' HD22 ' A' ' 72' ' ' LEU . 70.2 t-105 -106.69 99.41 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -146.03 155.26 42.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 7.4 ttpm? -76.14 97.33 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -113.43 149.38 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.68 119.68 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.0 m-85 -115.35 138.64 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.79 123.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.619 HD23 ' HB2' ' A' ' 9' ' ' LYS . 51.8 tp -80.39 119.7 23.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.99 150.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.6 tt0 -103.66 111.91 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 t -85.11 -52.46 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -128.23 173.56 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -49.13 -39.35 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE1' ' OE1' ' A' ' 37' ' ' GLN . 2.9 m-85 -126.42 30.8 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.1 m -133.76 142.04 47.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 21.8 m-85 -146.29 162.1 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -144.15 146.82 32.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.418 ' HG2' HD11 ' A' ' 58' ' ' LEU . 7.5 mmm -92.61 101.81 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.3 m -103.58 121.96 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.756 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.179 0 CA-C-O 120.722 0.218 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -67.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.06 143.87 31.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.651 HD21 ' HB1' ' A' ' 41' ' ' ALA . 5.4 tt -141.42 119.91 12.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -114.87 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -86.22 122.23 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.53 ' HB3' HG22 ' A' ' 109' ' ' THR . 6.8 mt -93.37 37.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -70.76 -21.31 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.03 1.87 3.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 12.3 m-85 -75.68 148.04 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.6 m -124.2 97.96 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG11 ' CB ' ' A' ' 105' ' ' MET . 2.6 p -83.06 143.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.82 143.38 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 102' ' ' VAL . 26.3 m-85 -47.89 134.52 13.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -145.33 156.94 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 5.0 p-10 -56.37 156.46 11.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.447 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.72 102.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.544 ' HG2' HD13 ' A' ' 89' ' ' ILE . 13.9 mp0 -40.03 136.71 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.641 2.228 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.18 -58.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.87 HD22 ' CD2' ' A' ' 25' ' ' TRP . 72.4 mt -51.25 101.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.36 46.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.53 -58.23 0.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.06 -170.7 14.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.584 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 7.8 mmm180 -93.52 -71.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.699 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -64.19 141.45 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 76' ' ' ARG . 97.2 m-85 -131.41 116.3 17.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -127.65 122.66 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -115.06 153.26 31.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.44 152.4 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.0 123.76 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.7 tptm -115.8 156.37 26.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.0 mm-40 -34.3 -45.65 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.29 13.44 1.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 153.33 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 m -136.69 136.69 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.2 t -142.0 140.64 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' A' ' 69' ' ' GLN . 10.2 mt -112.6 150.15 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CE1' HG12 ' A' ' 88' ' ' VAL . 66.9 m-85 -139.67 162.76 34.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.83 174.86 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.523 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 2.8 p -147.7 170.24 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -29.81 53.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 1.2 p-10 -142.05 142.82 32.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 18.0 tt0 -47.56 -42.09 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' HA ' HD12 ' A' ' 99' ' ' ILE . 15.5 tt0 -50.22 -49.15 53.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -51.84 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.699 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 12.2 ttp180 -40.89 -42.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 96' ' ' GLN . 76.8 mt -57.93 -44.37 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.1 mt -66.05 -34.67 78.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.699 ' CE2' HD11 ' A' ' 14' ' ' LEU . 87.9 m95 -75.14 -37.42 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 98' ' ' ARG . 85.6 t -70.08 -39.25 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.48 -41.19 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.64 -55.8 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.485 ' CB ' HG11 ' A' ' 63' ' ' VAL . 94.7 mtp -54.79 -28.16 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -63.84 -58.87 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -59.8 -34.37 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.598 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -56.45 -45.98 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 58' ' ' LEU . 18.1 p -79.65 -43.8 22.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.97 35.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -48.28 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -93.04 -40.79 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -91.97 99.91 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 64.2 tttt -61.44 137.23 94.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 155.84 64.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.471 HG13 ' HD2' ' A' ' 117' ' ' PRO . 91.2 t -139.53 133.64 15.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 116' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HB2' HD23 ' A' ' 32' ' ' LEU . 2.8 mptt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -137.2 162.81 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' HG22 ' A' ' 31' ' ' VAL . 60.0 p -162.8 169.11 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.97 149.76 5.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -60.51 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.945 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 101' ' ' TRP . 36.2 mt -138.85 153.51 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.2 m95 -99.0 117.6 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -137.14 151.98 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.9 tt -151.35 123.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.02 -168.96 13.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -92.43 -35.37 13.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.3 -38.59 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.609 HG23 ' CE3' ' A' ' 22' ' ' TRP . 23.9 m -118.8 162.99 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.609 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 46.83 30.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -39.57 -27.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.0 tpm_? -101.05 151.68 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.9 t-105 -94.66 89.94 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 5.5 tppt? -134.09 155.07 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 19.4 tttt -81.86 103.18 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -113.67 164.5 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -80.05 97.94 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 26.2 m-85 -91.69 135.59 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' ' 11' ' ' SER . 96.9 t -134.04 130.37 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 9' ' ' LYS . 42.8 tp -79.42 120.06 23.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.0 t -116.22 146.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 48.7 tt0 -98.91 102.29 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -70.58 -58.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 -175.77 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -55.74 -38.07 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.71 35.36 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.5 m -139.28 142.64 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 28.0 m-85 -142.94 165.64 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.86 144.98 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 75.1 mmm -92.64 101.12 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.3 m -92.88 130.45 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.76 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.733 0.222 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -74.95 -75.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -76.5 128.52 34.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.751 HD21 ' HB1' ' A' ' 41' ' ' ALA . 4.7 tt -140.5 115.43 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 13.3 tp -107.71 120.8 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -87.91 121.61 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.854 ' HB3' HG22 ' A' ' 109' ' ' THR . 18.3 mt -86.54 34.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.57 -58.53 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -115.85 -22.26 4.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 28.0 m-85 -34.97 143.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.63 HG23 ' OE1' ' A' ' 111' ' ' GLN . 13.1 m -124.75 100.03 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 105' ' ' MET . 5.6 p -82.91 137.98 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -164.96 151.84 10.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -53.86 135.8 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 t -145.04 171.2 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.46 159.32 77.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 121.23 7.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -66.62 142.16 97.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.95 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.92 -58.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.69 118.71 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.53 40.38 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.06 100.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.5 163.76 24.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 17.3 ptm180 -96.71 -49.64 5.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.11 143.06 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 47.4 m-85 -127.15 109.87 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -130.57 122.36 27.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -123.55 157.3 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.14 152.06 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 6.0 p -114.77 127.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.3 tptm -117.99 157.01 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' LYS . 63.5 mm-40 -33.43 -52.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.05 15.6 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.78 150.32 49.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -138.69 128.7 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.424 HG12 ' CE1' ' A' ' 90' ' ' PHE . 38.3 t -134.14 139.31 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.03 150.39 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE1' HG12 ' A' ' 88' ' ' VAL . 53.9 m-85 -139.78 157.27 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -147.19 160.18 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.7 p -133.37 161.09 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.43 -34.21 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -117.92 147.87 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -60.92 -52.7 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -47.33 -45.81 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -48.42 -54.45 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.727 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 41.3 ttp180 -42.04 -58.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.3 mt -49.5 -52.64 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 97' ' ' ASP . 38.5 mt -51.52 -49.69 61.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.674 ' CE2' HD11 ' A' ' 14' ' ' LEU . 77.6 m95 -65.26 -36.51 84.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 98' ' ' ARG . 55.8 t -68.76 -34.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -72.2 -40.76 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.11 -53.76 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.656 ' HB2' HG11 ' A' ' 63' ' ' VAL . 94.5 mtp -56.73 -32.82 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.6 t80 -59.54 -60.91 3.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -60.78 -32.8 72.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -57.26 -45.68 83.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.854 HG22 ' HB3' ' A' ' 58' ' ' LEU . 16.0 p -78.95 -43.56 24.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.09 31.68 22.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.63 ' OE1' HG23 ' A' ' 62' ' ' THR . 5.5 pt20 -54.77 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -101.66 -38.0 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -92.78 109.38 20.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.8 tttt -70.35 131.52 88.39 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.05 46.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.388 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 117' ' ' PRO . 58.3 t -129.45 133.41 25.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 116' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.721 ' HB2' HD23 ' A' ' 32' ' ' LEU . 18.4 mmtm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 101' ' ' TRP . 23.7 m-70 -139.92 131.89 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -138.9 144.86 39.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.78 165.3 14.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.56 136.25 56.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.5 mt -153.14 144.42 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 7.1 m95 -91.67 116.36 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.602 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.51 154.67 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 tt -150.14 129.73 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.53 -177.85 15.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -87.15 -44.09 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -94.28 -32.08 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.754 HG23 ' CE3' ' A' ' 22' ' ' TRP . 12.0 m -127.12 154.05 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.754 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 55.6 31.87 18.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -45.87 -27.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -98.49 142.59 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CD2' HD22 ' A' ' 72' ' ' LEU . 71.0 t-105 -88.74 95.41 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 78.5 tttt -140.85 156.9 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 16.3 ttmt -83.86 117.13 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -134.92 157.2 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.67 120.26 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -113.09 138.92 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.61 133.53 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' HB2' ' A' ' 9' ' ' LYS . 41.6 tp -88.29 105.18 17.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG2' ' SG ' ' A' ' 43' ' ' CYS . 60.6 t -101.44 135.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.554 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 36.4 tt0 -91.68 95.43 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -65.06 -61.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -116.26 168.15 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -50.68 -29.23 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -133.21 25.71 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -137.42 132.37 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 12.5 m-85 -129.97 169.1 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.79 145.35 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.514 ' HG2' HD11 ' A' ' 58' ' ' LEU . 33.1 mmm -92.04 103.27 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' CG2' ' A' ' 33' ' ' VAL . 1.9 m -95.54 117.26 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.68 0.2 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -92.09 -30.04 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -127.66 110.28 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 41' ' ' ALA . 8.6 tt -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 25.4 tp -119.77 110.73 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.36 122.63 24.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 109' ' ' THR . 13.8 mt -91.48 37.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.66 -32.2 69.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' C ' ' HD2' ' A' ' 83' ' ' LYS . . . -128.42 14.54 6.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -89.86 144.06 26.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.823 HG23 ' CD ' ' A' ' 111' ' ' GLN . 97.5 m -121.28 96.34 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.669 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.3 p -82.82 143.96 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -168.47 169.92 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' ' C ' ' A' ' 116' ' ' VAL . 10.1 m-85 -73.62 134.76 43.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -147.19 154.54 41.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.9 159.54 19.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.537 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.78 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -63.13 142.76 97.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.76 2.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -65.75 0.59 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 25' ' ' TRP . 61.8 mt -51.18 111.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.299 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 2.8 pm0 -109.24 37.68 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.66 125.27 5.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.34 160.09 18.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -93.7 -49.65 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.927 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -74.21 148.77 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 38.5 m-85 -131.45 111.48 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -135.6 119.96 17.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -117.94 159.7 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.75 144.83 43.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.1 t -105.95 134.09 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 18.8 tptm -126.18 153.83 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 23.7 mt-10 -34.0 -49.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.25 16.77 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.07 152.36 47.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -138.69 132.02 30.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.9 t -139.53 139.03 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 mt -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.602 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 88.0 m-85 -140.84 159.32 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . . . -147.61 159.41 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -130.67 174.88 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -31.0 56.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -145.98 154.09 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.16 -51.28 67.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -46.38 -23.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.59 -39.3 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.927 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 31.1 ttp180 -53.23 -43.55 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mt -53.65 -55.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.0 mt -49.04 -38.95 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 10' ' ' HIS . 55.4 m95 -72.52 -47.74 46.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.41 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 49.7 t -55.07 -50.6 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -53.05 -49.08 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.46 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.669 ' CB ' HG11 ' A' ' 63' ' ' VAL . 88.2 mtp -46.2 -27.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -67.79 -60.72 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -59.56 -38.55 81.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.99 -51.89 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 58' ' ' LEU . 6.8 p -75.1 -46.32 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.53 26.08 21.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.823 ' CD ' HG23 ' A' ' 62' ' ' THR . 3.4 pt20 -52.71 176.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.9 m -101.47 -38.27 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -81.18 89.86 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 7.0 ttpt -56.86 126.89 73.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 136.05 31.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.742 2.294 . . . . 0.0 112.296 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.489 ' C ' ' CE2' ' A' ' 65' ' ' TYR . 93.2 t -121.62 123.62 27.45 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.744 ' HB2' HD23 ' A' ' 32' ' ' LEU . 43.7 mmtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -159.7 131.37 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.401 ' HB2' HG22 ' A' ' 31' ' ' VAL . 87.6 p -126.79 151.79 47.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.8 152.36 6.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -62.52 122.39 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.389 . . . . 0.0 110.952 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 101' ' ' TRP . 80.1 mt -139.22 159.43 42.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 3.0 m95 -104.27 122.14 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -141.45 148.56 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 tt -148.63 123.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.16 -161.24 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -99.52 -44.48 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.56 -40.88 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.68 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.5 m -120.92 160.88 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 50.19 31.37 5.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.54 -27.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -100.83 150.44 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.631 ' CE3' HD22 ' A' ' 72' ' ' LEU . 74.9 t-105 -88.57 86.4 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -126.83 156.51 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 15' ' ' TRP . 30.7 ttpt -99.16 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.577 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 18.2 ptp180 -133.26 168.82 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.51 115.84 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 42.9 m-85 -111.46 125.4 53.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 11' ' ' SER . 93.4 t -119.62 133.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.744 HD23 ' HB2' ' A' ' 9' ' ' LYS . 41.8 tp -83.92 114.73 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' SG ' ' A' ' 43' ' ' CYS . 15.6 t -106.51 145.44 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 61.3 tt0 -102.15 88.16 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -53.06 -54.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 m -142.47 -175.24 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 7.1 tp-100 -43.76 -62.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 1.7 m-85 -111.65 41.72 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 m -142.16 135.27 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.759 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 22.2 m-85 -140.55 165.03 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.614 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -148.82 144.68 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.411 ' HG2' HD11 ' A' ' 58' ' ' LEU . 9.8 mmm -92.32 112.04 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.696 ' SG ' HG23 ' A' ' 33' ' ' VAL . 1.3 p -100.94 119.53 38.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 28' ' ' ARG . 91.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.723 0.218 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.09 -66.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.87 111.46 12.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 41' ' ' ALA . 9.7 tt -125.14 129.29 49.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 15.0 tp -110.15 134.71 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -97.02 118.3 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.689 ' HB3' HG22 ' A' ' 109' ' ' THR . 8.0 mt -90.36 35.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -37.35 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -123.31 -30.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.626 ' O ' HG21 ' A' ' 109' ' ' THR . 10.4 m-85 -34.61 142.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.714 HG23 ' CD ' ' A' ' 111' ' ' GLN . 51.5 m -124.17 95.71 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.182 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG11 ' CB ' ' A' ' 105' ' ' MET . 2.6 p -83.46 142.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -167.49 167.56 13.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 25.8 m-85 -66.32 124.2 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -133.81 169.16 17.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.88 159.35 81.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.74 117.19 4.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.26 137.56 81.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.39 -60.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.631 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.7 mt -64.78 119.05 9.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.4 mt-10 -103.62 -59.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.416 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -35.6 101.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.12 151.9 10.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -96.52 -52.38 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' A' ' 98' ' ' ARG . . . -80.49 155.48 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 86.8 m-85 -130.6 132.6 45.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -151.53 119.2 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -118.23 160.89 20.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.05 148.76 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.9 t -107.37 123.07 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 13.1 tptm -121.16 155.14 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.3 mm-40 -34.38 -55.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.22 18.71 3.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.06 147.0 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 m -137.86 122.5 18.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 90' ' ' PHE . 48.4 t -130.09 132.33 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.2 mt -105.25 141.9 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 50.2 m-85 -128.91 156.19 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.65 153.76 43.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 p -122.69 173.73 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -92.23 -37.19 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 168.57 9.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.69 -31.79 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -59.57 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -45.45 -36.77 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.668 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 19.1 ttt180 -49.74 -69.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.464 ' N ' ' HG2' ' A' ' 98' ' ' ARG . 12.4 mt -43.7 -46.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.7 -45.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.531 ' CE2' HD11 ' A' ' 14' ' ' LEU . 61.8 m95 -66.23 -44.35 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.29 -43.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.55 -60.9 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.632 ' CB ' HG11 ' A' ' 63' ' ' VAL . 90.8 mtp -47.78 -32.42 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -61.84 -53.89 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -64.25 -33.66 76.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.759 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.44 -56.59 15.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.689 HG22 ' HB3' ' A' ' 58' ' ' LEU . 19.5 p -71.72 -41.39 68.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.12 30.7 30.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.714 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.3 pt20 -54.28 174.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.2 p -91.94 -41.67 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -88.59 104.93 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -70.29 135.23 86.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.81 144.56 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.591 HG13 ' HD2' ' A' ' 117' ' ' PRO . 59.9 t -130.83 137.45 30.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.677 0.751 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.591 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.716 ' HB2' HD23 ' A' ' 32' ' ' LEU . 15.5 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -172.04 131.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 p -121.45 155.43 34.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.76 151.38 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -66.8 140.29 57.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.868 HD11 ' CE2' ' A' ' 101' ' ' TRP . 23.3 mt -149.98 160.13 43.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.8 m95 -103.93 116.84 33.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.691 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.92 152.96 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -147.65 125.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.21 -177.17 15.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -91.18 -29.07 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -102.22 -33.28 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.786 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.2 m -133.12 153.49 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.786 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.8 m0 62.79 27.17 15.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' TRP . 22.1 mmmt -35.53 -39.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -92.66 141.15 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.89 ' CD2' HD22 ' A' ' 72' ' ' LEU . 61.1 t-105 -83.48 92.18 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -135.96 156.67 48.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HD3' ' CE2' ' A' ' 15' ' ' TRP . 24.3 ttpp -83.96 120.76 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -133.5 145.31 50.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.22 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 15.6 m-85 -91.26 135.6 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.6 t -132.97 124.82 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 9' ' ' LYS . 28.1 tp -81.81 106.37 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.56 139.0 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -96.3 99.78 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.61 -53.31 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 m -132.08 -176.54 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.65 -44.76 73.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -122.03 33.72 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 6.6 m -137.62 138.89 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 35.5 m-85 -143.73 166.16 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.909 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.29 146.07 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.471 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 43.8 mmm -93.36 101.32 13.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -94.47 119.58 33.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.742 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.714 0.214 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -49.28 -56.96 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -103.4 138.91 39.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.909 HD11 ' HB1' ' A' ' 41' ' ' ALA . 7.8 tp -140.35 128.92 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.615 ' N ' HD12 ' A' ' 55' ' ' LEU . 22.0 tp -124.3 106.82 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -70.55 137.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.671 ' HB3' HG22 ' A' ' 109' ' ' THR . 8.9 mt -101.72 35.96 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.64 43.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.63 -29.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -49.87 134.89 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.941 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.483 HG23 ' CB ' ' A' ' 111' ' ' GLN . 31.6 m -111.29 99.8 8.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.79 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.7 p -86.7 142.36 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.44 135.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.462 ' CE1' HG21 ' A' ' 102' ' ' VAL . 34.2 m-85 -42.07 120.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.596 HG21 ' ND2' ' A' ' 80' ' ' ASN . 7.0 t -127.03 166.32 17.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -60.2 155.89 42.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.76 133.37 25.39 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.819 ' HG2' HD13 ' A' ' 89' ' ' ILE . 5.3 mp0 -79.48 135.97 56.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.51 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.32 -50.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.89 HD22 ' CD2' ' A' ' 25' ' ' TRP . 23.8 mt -65.01 119.64 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 49.4 mt-10 -127.21 -29.29 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.98 -45.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.54 162.36 12.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -85.97 -69.61 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.892 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.01 154.67 18.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 57.5 m-85 -131.45 113.17 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.52 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.2 p90 -138.43 120.72 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.596 ' ND2' HG21 ' A' ' 66' ' ' THR . 39.9 p30 -120.29 161.66 20.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.16 141.64 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.76 128.29 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.3 tptp -121.99 155.55 35.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 32.4 mm-40 -34.44 -53.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.66 15.73 3.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -126.26 149.09 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -138.34 133.84 33.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.763 HG12 ' CE1' ' A' ' 90' ' ' PHE . 92.1 t -142.98 130.83 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.819 HD13 ' HG2' ' A' ' 69' ' ' GLN . 15.3 mt -103.99 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.763 ' CE1' HG12 ' A' ' 88' ' ' VAL . 45.5 m-85 -132.69 161.18 34.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.13 163.7 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -135.51 159.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.85 -49.54 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -130.16 152.36 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 22.5 tt0 -53.73 -56.59 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -46.09 -21.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -80.58 -57.39 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.892 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 7.2 ptt180 -48.3 -25.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.33 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.657 ' H ' HD12 ' A' ' 100' ' ' LEU . 5.9 mp -52.41 -38.35 58.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.868 ' CE2' HD11 ' A' ' 14' ' ' LEU . 40.9 m95 -68.71 -46.77 68.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 98' ' ' ARG . 88.0 t -60.49 -43.12 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.11 -42.95 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.98 -54.67 12.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.79 ' HB2' HG11 ' A' ' 63' ' ' VAL . 33.1 mmm -53.86 -36.53 62.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.0 t80 -59.13 -57.45 12.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -64.29 -39.93 94.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -55.04 -43.68 74.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.671 HG22 ' HB3' ' A' ' 58' ' ' LEU . 28.9 p -80.72 -45.1 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.64 35.44 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.483 ' CB ' HG23 ' A' ' 62' ' ' THR . 4.0 pt20 -59.65 177.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.8 p -91.13 -42.77 10.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -89.87 110.91 21.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.6 tttm -74.27 138.23 75.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 114' ' ' LYS . 54.0 Cg_endo -69.76 149.55 67.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.9 126.55 21.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.78 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -142.94 154.84 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.61 ' HB2' HG22 ' A' ' 31' ' ' VAL . 56.9 p -148.57 165.7 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.13 162.96 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.38 137.85 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.636 HD11 ' CE2' ' A' ' 101' ' ' TRP . 83.2 mt -153.22 160.25 42.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.522 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.0 m95 -108.43 121.76 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.713 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -144.6 158.65 43.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tt -153.4 124.93 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.74 -161.41 11.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -102.53 -35.26 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.02 -34.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.762 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.9 m -131.23 153.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.762 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.5 m-90 59.49 35.37 22.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -33.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -99.65 157.04 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 65.9 t-105 -95.03 86.81 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 157.3 42.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 25.2 ttpt -85.43 115.73 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -128.05 169.25 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -75.0 99.29 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.713 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 25.1 m-85 -92.56 118.61 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 11' ' ' SER . 89.8 t -123.53 123.58 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 9' ' ' LYS . 64.7 tp -79.3 103.56 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.72 147.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.4 tt0 -104.03 97.91 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.38 -52.27 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 p -133.86 -175.03 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -52.82 -61.74 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 1.1 m-85 -108.71 38.64 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 m -142.74 133.56 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.716 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 19.0 m-85 -138.68 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 1.033 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.14 148.63 28.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.594 ' HG2' HD11 ' A' ' 58' ' ' LEU . 83.8 mmm -96.2 102.77 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -94.0 126.86 39.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.75 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.74 0.225 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.21 -41.31 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -122.57 135.33 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.033 HD11 ' HB1' ' A' ' 41' ' ' ALA . 20.4 tp -136.48 136.8 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.52 ' H ' HD12 ' A' ' 55' ' ' LEU . 17.7 tp -134.69 106.99 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.94 124.05 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.594 HD11 ' HG2' ' A' ' 42' ' ' MET . 2.1 mt -98.84 38.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.59 -33.9 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.18 -4.01 7.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 83' ' ' LYS . 38.7 m-85 -69.66 144.92 52.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.655 HG23 ' CD ' ' A' ' 111' ' ' GLN . 87.4 m -121.39 99.15 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.501 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.9 p -83.31 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.4 p30 -159.16 167.81 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 52.1 m-85 -69.74 127.49 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.545 HG21 ' ND2' ' A' ' 80' ' ' ASN . 14.3 t -137.09 155.51 49.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.15 159.85 19.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.5 Cg_endo -69.76 123.72 10.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -72.12 137.74 81.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 93.14 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.92 -49.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 ' CD2' ' A' ' 25' ' ' TRP . 16.5 mt -71.6 115.96 11.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.9 tt0 -101.95 -64.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.35 114.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.99 138.46 9.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.49 -64.19 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.87 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -65.01 139.41 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 54.0 m-85 -120.05 111.22 17.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.6 p90 -135.21 127.34 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.545 ' ND2' HG21 ' A' ' 66' ' ' THR . 45.2 p30 -127.99 161.86 28.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.06 153.25 34.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.504 HG12 ' HB ' ' A' ' 62' ' ' THR . 14.6 p -116.15 138.79 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 21.5 tptm -128.38 157.03 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 83' ' ' LYS . 5.4 mm-40 -33.0 -49.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.82 15.81 2.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 150.49 49.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.0 m -138.83 131.25 28.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.606 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.0 t -135.57 142.57 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 90' ' ' PHE . 32.6 mt -111.79 152.38 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.606 ' CE1' HG12 ' A' ' 88' ' ' VAL . 58.7 m-85 -142.77 158.4 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -148.81 163.29 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 41.5 p -137.2 170.96 15.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.59 -47.2 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.01 155.98 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.58 -34.99 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -58.97 -37.93 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 100' ' ' LEU . 20.3 m-20 -60.53 -49.79 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.87 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 19.4 ttp180 -43.99 -45.16 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.6 mt -66.67 -40.33 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 97' ' ' ASP . 44.3 mt -64.71 -33.64 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.636 ' CE2' HD11 ' A' ' 14' ' ' LEU . 79.6 m95 -84.02 -38.12 21.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 98' ' ' ARG . 40.2 t -66.65 -40.85 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -67.67 -46.42 72.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.41 -52.0 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.501 ' CB ' HG11 ' A' ' 63' ' ' VAL . 94.4 mtp -58.11 -33.52 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -57.09 -59.02 5.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -57.53 -40.58 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -50.91 -50.68 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 58' ' ' LEU . 11.7 p -74.43 -41.27 61.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.07 29.68 45.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.655 ' CD ' HG23 ' A' ' 62' ' ' THR . 3.6 pt20 -54.12 168.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.5 m -80.5 -43.16 21.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -78.07 173.53 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -129.31 130.04 23.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.5 ' HB2' ' CG1' ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.8 129.65 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.628 HG23 ' HD2' ' A' ' 117' ' ' PRO . 7.6 p -118.52 138.01 25.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.628 ' HD2' HG23 ' A' ' 116' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -63.9 165.78 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -58.14 -47.87 82.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.81 -148.61 18.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -166.49 121.87 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -71.21 171.08 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.8 139.92 3.16 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.4 mtp -116.07 136.07 53.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.697 ' HB2' HD23 ' A' ' 32' ' ' LEU . 18.4 mmmt -113.06 -47.73 3.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -156.6 134.0 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.9 p -127.89 155.02 44.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.86 152.09 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -64.82 140.41 58.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.1 mt -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.0 m95 -103.02 117.94 35.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -145.71 148.7 33.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.17 125.62 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.74 -159.93 11.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -102.72 -43.7 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -93.5 -31.35 14.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG23 ' CE3' ' A' ' 22' ' ' TRP . 21.8 m -126.31 166.59 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.577 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.9 m-90 43.64 31.33 0.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -38.34 -38.45 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 151.14 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.489 ' CD2' HD22 ' A' ' 72' ' ' LEU . 50.6 t-105 -99.39 94.1 6.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 37.3 tttm -145.86 155.43 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.6 ttpp -67.7 106.94 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -126.02 155.93 40.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -59.29 139.61 56.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.5 m-85 -139.29 129.8 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.05 126.75 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD23 ' HB2' ' A' ' 9' ' ' LYS . 24.3 tp -85.25 109.53 18.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 34' ' ' GLN . 54.4 t -105.84 155.39 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 21.5 tt0 -104.12 105.94 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.41 -57.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -124.25 168.44 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 9.6 mt-30 -40.63 -42.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -127.5 38.11 4.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.85 131.72 24.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.699 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 6.6 m-85 -131.81 165.85 22.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.6 149.57 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.7 mmm -93.05 102.8 15.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 19.4 m -95.53 120.74 36.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -98.36 93.91 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 45.5 m-85 -88.83 92.1 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -87.46 -33.71 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.52 170.98 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -105.02 96.78 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 mttm 71.83 48.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.63 173.54 11.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.95 151.72 63.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 146.9 61.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -60.53 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -109.49 147.43 32.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.995 HD11 ' HB1' ' A' ' 41' ' ' ALA . 5.5 tp -149.24 134.37 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.797 ' N ' HD12 ' A' ' 55' ' ' LEU . 16.4 tp -132.33 108.44 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -67.68 124.35 23.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.559 ' HB3' HG22 ' A' ' 109' ' ' THR . 45.2 mt -85.09 31.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 17.8 p-10 -78.86 76.88 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . 125.51 -41.73 1.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.1 m-85 -37.43 135.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 0.0 110.952 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.7 m -110.41 94.09 4.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.7 p -83.31 136.1 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -164.58 151.39 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.24 130.23 41.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.2 t -140.68 149.88 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.87 157.72 7.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.624 0.726 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.3 Cg_endo -69.78 107.83 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -62.94 142.75 97.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.65 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 137.82 -61.98 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 89' ' ' ILE . 34.9 mt -56.28 106.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -119.63 64.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -116.14 -63.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.03 179.02 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -82.89 -69.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.748 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -55.55 144.87 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.543 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.9 m-85 -128.82 129.35 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -155.56 121.65 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -119.59 156.6 30.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 61' ' ' TYR . . . -108.43 135.19 50.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.84 127.46 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 15.4 tptm -125.26 155.97 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.51 -55.27 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.87 15.47 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -126.61 143.57 51.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.4 m -138.72 122.75 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.7 t -129.85 140.78 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.639 HD13 HD11 ' A' ' 72' ' ' LEU . 11.3 mt -108.28 153.31 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.463 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 73.6 m-85 -140.06 150.16 44.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.41 149.03 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.467 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 67.0 p -122.54 -178.32 3.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -82.11 -32.17 30.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 3.4 p-10 -133.99 162.61 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 19.9 tt0 -73.35 -32.28 64.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -58.29 -46.76 85.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.88 -50.19 74.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.748 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 23.7 ttp180 -42.01 -56.32 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.7 mt -48.42 -52.19 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.35 -29.95 62.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.708 ' CE2' HD11 ' A' ' 14' ' ' LEU . 44.7 m95 -79.49 -42.86 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.15 -42.5 94.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -59.14 -40.24 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.2 -57.9 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.774 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.8 mmm -51.25 -39.71 57.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 6.7 t80 -52.16 -53.58 41.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -66.35 -39.76 89.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.67 -41.45 70.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 61' ' ' TYR . 29.8 p -84.65 -45.05 12.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.43 36.61 16.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -60.56 172.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.355 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -88.25 -42.2 12.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -89.18 103.38 16.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 74.8 tttt -67.77 135.64 92.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.553 0.692 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.55 65.43 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.503 HG23 ' HD2' ' A' ' 117' ' ' PRO . 14.9 p -138.44 136.8 19.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.6 Cg_endo -69.81 127.24 14.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -175.14 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.4 t -130.82 37.81 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -86.92 89.77 8.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 t -41.37 -61.63 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 160.42 83.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.72 6.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.6 m -123.58 137.43 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 t -83.65 155.06 23.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -99.07 140.41 33.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -81.88 -48.56 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.33 82.8 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -137.05 145.84 44.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -91.91 143.89 26.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.6 70.76 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 mtt -96.27 120.88 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -99.17 -55.76 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.55 125.58 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -121.13 130.1 53.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.98 163.92 29.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -76.54 131.3 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.913 0.387 . . . . 0.0 110.966 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD11 ' CE2' ' A' ' 101' ' ' TRP . 95.7 mt -146.33 158.68 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 4.6 m95 -100.8 121.53 41.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.1 147.88 48.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -146.12 125.22 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.92 -175.96 14.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -82.71 -52.01 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.733 0.301 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -87.81 -35.46 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.615 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.6 m -117.98 154.85 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.7 m-90 50.14 34.57 8.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -43.31 -23.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 22' ' ' TRP . 14.3 ttp180 -112.36 150.13 31.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.602 ' CE3' HD22 ' A' ' 72' ' ' LEU . 73.4 t-105 -85.17 89.19 7.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -124.2 155.98 37.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 22.1 ttpp -97.27 107.25 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -128.75 169.62 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -71.33 128.22 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.7 m-85 -119.61 142.69 48.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -140.71 125.92 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -79.74 100.4 7.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.1 t -93.69 150.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 21.1 tt0 -104.99 98.41 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 t -62.79 -55.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 m -128.79 -176.05 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . 28.4 mm100 -56.89 -45.0 82.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -117.98 24.76 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 3.9 m -130.4 144.33 51.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.481 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.5 m-85 -144.12 160.44 40.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 1.003 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -145.53 147.63 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.406 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 40.2 mmm -94.54 102.79 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.618 ' SG ' HD13 ' A' ' 55' ' ' LEU . 89.0 m -99.78 130.47 45.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.9 p -113.21 113.99 26.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -102.22 136.66 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -99.23 -30.78 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -124.72 165.42 17.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -51.68 68.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -114.56 97.2 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -174.08 163.89 4.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.4 150.0 50.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.639 0.733 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.44 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -48.08 -47.59 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -114.87 146.61 40.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.003 HD11 ' HB1' ' A' ' 41' ' ' ALA . 15.4 tp -152.01 141.47 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 55' ' ' LEU . 19.4 tp -132.45 110.01 10.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -78.47 121.2 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.726 ' HB3' HG22 ' A' ' 109' ' ' THR . 21.7 mt -85.78 33.92 0.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.97 -52.8 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.03 22.1 4.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.645 ' O ' HG21 ' A' ' 109' ' ' THR . 15.2 m-85 -75.69 142.46 42.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.648 HG23 ' CD ' ' A' ' 111' ' ' GLN . 17.0 m -117.39 100.63 7.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 105' ' ' MET . 4.7 p -89.23 132.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.486 ' OD2' HG22 ' A' ' 62' ' ' THR . 1.4 m-20 -156.67 157.96 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 11.8 m-85 -64.34 136.07 56.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.408 HG21 ' ND2' ' A' ' 80' ' ' ASN . 13.1 t -147.72 166.13 28.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 155.12 85.02 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.75 107.43 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.537 ' OE1' HD12 ' A' ' 72' ' ' LEU . 15.9 mp0 -53.63 139.18 50.53 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.726 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.7 -60.72 0.67 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.602 HD22 ' CE3' ' A' ' 25' ' ' TRP . 34.3 mt -52.15 111.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -113.7 72.48 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.465 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -166.51 96.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.27 15.26 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -90.74 -60.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.766 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -75.65 150.2 38.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 73.4 m-85 -131.33 108.02 9.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 13.9 p90 -125.04 122.16 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HB3' HG23 ' A' ' 89' ' ' ILE . 36.3 p30 -117.94 158.76 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.62 153.51 32.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.444 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 3.9 p -118.19 136.15 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.5 tptm -125.85 156.74 39.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 14.2 mt-10 -34.05 -51.9 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.14 14.11 3.79 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -127.03 150.47 49.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.7 m -138.67 137.98 37.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 90' ' ' PHE . 33.2 t -142.53 148.64 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.531 HG21 ' OE1' ' A' ' 69' ' ' GLN . 11.6 mt -122.22 140.17 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.09 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 24.7 m-85 -130.72 159.42 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -146.92 156.78 43.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.4 p -126.55 163.92 22.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -69.4 -44.73 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.95 147.52 50.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.416 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 3.4 tm-20 -46.89 -57.03 5.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -44.75 -47.96 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -50.5 -52.06 41.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.766 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 33.9 ttp180 -47.4 -61.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -38.23 -58.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -45.94 -39.53 8.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.755 ' CE2' HD11 ' A' ' 14' ' ' LEU . 60.1 m95 -75.48 -49.66 18.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.423 HG11 ' CE1' ' A' ' 65' ' ' TYR . 39.6 t -52.87 -51.53 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -53.56 -51.72 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.86 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.66 ' HB2' HG11 ' A' ' 63' ' ' VAL . 87.2 mtp -46.28 -33.23 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -60.07 -60.35 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -59.28 -35.28 73.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.27 -47.66 68.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.726 HG22 ' HB3' ' A' ' 58' ' ' LEU . 4.9 p -79.84 -42.09 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.39 27.38 39.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.648 ' CD ' HG23 ' A' ' 62' ' ' THR . 5.4 pt20 -50.5 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -95.34 -41.84 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -85.94 109.94 19.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 19.0 ttpt -71.19 131.33 87.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 143.2 50.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.669 HG13 ' HD2' ' A' ' 117' ' ' PRO . 87.7 t -127.34 138.6 33.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.669 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.74 138.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.18 25.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.324 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 37.3 p -132.51 84.06 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -49.69 105.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.2 p -146.2 140.52 26.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -116.19 160.92 13.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.11 25.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.7 m 55.85 42.09 29.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.8 m -122.08 -60.24 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.517 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -100.37 98.54 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -133.3 113.22 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.89 -151.35 5.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -43.72 151.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 m 41.48 45.93 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.03 -41.19 95.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.0 mtm -84.38 127.34 33.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -89.09 -58.1 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 1.8 t60 -131.5 136.86 48.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.0 p -135.45 135.8 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.52 165.99 20.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CB ' ' HE2' ' A' ' 27' ' ' LYS . 91.3 m-85 -74.62 142.39 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.953 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 91' ' ' ALA . 60.2 mt -154.34 159.91 41.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.525 ' CZ2' ' HB2' ' A' ' 27' ' ' LYS . 2.3 m95 -107.86 119.85 40.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -142.45 157.12 45.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 tt -151.11 123.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.05 12.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -102.21 -40.7 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.327 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -95.26 -39.71 9.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.7 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.4 m -116.28 168.7 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.7 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 41.67 38.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -55.9 -15.4 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.85 124.99 53.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.471 ' CD2' HD22 ' A' ' 72' ' ' LEU . 74.5 t-105 -71.83 100.25 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -146.55 155.89 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 47.3 tttt -78.4 102.62 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -118.12 168.53 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.55 121.99 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 48.1 m-85 -115.63 131.83 56.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -133.43 129.55 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.21 105.75 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 34' ' ' GLN . 59.7 t -98.48 153.62 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 65.1 tt0 -104.7 112.92 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 t -84.16 -58.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -124.07 -179.25 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 12.7 tp60 -46.53 -50.84 16.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 4.2 m-85 -122.13 39.34 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.41 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 4.1 m -138.65 138.57 37.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.129 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 19.5 m-85 -140.26 172.11 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.34 149.25 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.575 ' HG2' HD11 ' A' ' 58' ' ' LEU . 34.6 mmm -95.34 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.8 m -92.29 128.02 37.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.2 t -104.0 84.95 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -73.36 150.33 41.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -120.72 -27.66 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.3 tp10 -148.83 139.48 22.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 12.9 pttm -41.37 -41.74 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 14.6 mtpp -85.57 -54.63 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 47' ' ' GLU . . . -47.29 141.8 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.82 152.4 44.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 116.23 4.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -79.27 -72.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -66.33 111.99 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' A' ' 41' ' ' ALA . 2.5 tt -127.26 122.54 34.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 61' ' ' TYR . 17.7 tp -113.09 119.48 38.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -83.9 129.29 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.665 ' HB3' HG22 ' A' ' 109' ' ' THR . 4.2 mt -98.01 33.87 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.62 -29.97 66.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -128.85 -32.75 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 8.4 m-85 -34.53 141.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.71 HG23 ' CD ' ' A' ' 111' ' ' GLN . 85.4 m -119.03 95.15 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.762 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.0 p -82.8 138.57 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -163.64 164.08 24.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE1' HG11 ' A' ' 102' ' ' VAL . 24.8 m-85 -66.59 129.5 40.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -141.18 159.5 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.36 157.73 80.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.615 0.722 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 115.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.761 2.307 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -61.64 134.48 93.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 89.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.384 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 161.72 -53.92 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 25' ' ' TRP . 33.0 mt -61.24 131.54 50.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -121.16 39.79 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.63 137.11 9.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.45 163.45 2.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -92.66 -69.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.859 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.95 148.46 39.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 77.8 m-85 -129.19 112.15 13.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 3.3 p90 -133.47 130.37 38.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 45.0 p30 -127.3 167.89 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.96 147.18 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 78.3 t -107.37 127.78 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 9.6 tptm -126.97 156.07 42.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.5 mt-10 -34.45 -54.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.59 19.03 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.83 146.41 50.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.7 m -138.38 126.23 22.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.594 HG12 ' CE1' ' A' ' 90' ' ' PHE . 46.7 t -133.65 132.72 57.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 80' ' ' ASN . 14.9 mt -103.09 154.13 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CE1' HG12 ' A' ' 88' ' ' VAL . 26.5 m-85 -142.55 162.79 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.601 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -146.04 176.26 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.6 p -147.05 171.66 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.54 -43.6 22.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -122.87 154.3 38.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.96 -48.85 80.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -51.74 -40.65 60.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -54.7 -53.69 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.859 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 45.6 ttp180 -42.97 -67.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ARG . 33.5 mt -36.94 -57.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -45.93 -47.15 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.552 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 77.0 m95 -66.97 -46.44 74.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 65' ' ' TYR . 37.8 t -55.64 -45.97 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -60.48 -46.75 88.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.98 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.762 ' HB2' HG11 ' A' ' 63' ' ' VAL . 84.7 mtp -43.11 -35.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.2 t80 -57.03 -58.42 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -63.4 -31.23 72.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -59.05 -46.75 87.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.665 HG22 ' HB3' ' A' ' 58' ' ' LEU . 24.3 p -79.97 -40.87 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.103 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.85 31.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.71 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.3 pt20 -56.66 -178.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.1 m -95.62 -43.17 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.33 100.68 12.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 13.8 ttmm -62.77 138.18 96.9 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.09 46.85 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.559 HG23 ' HD2' ' A' ' 117' ' ' PRO . 9.3 p -114.94 137.39 22.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.677 0.751 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.4 Cg_endo -69.75 127.3 14.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -177.08 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 119' ' ' THR . 4.0 t -142.96 108.29 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -120.58 137.8 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.5 t -114.63 -44.3 3.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 149.39 -166.55 29.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 84.97 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.6 t -133.04 129.39 38.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.2 t -165.82 174.73 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 29.4 t -116.21 108.09 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.809 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 49.4 m -35.26 151.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.99 49.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 t -102.38 131.06 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -83.94 -50.01 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.96 91.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 mtt -107.11 102.58 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -74.79 -51.26 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.482 ' OG ' HG13 ' A' ' 31' ' ' VAL . 42.7 m -135.58 146.51 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.55 147.69 4.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.0 m-85 -56.42 132.98 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' CE2' ' A' ' 101' ' ' TRP . 64.1 mt -149.47 138.26 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.8 m95 -83.62 126.22 32.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -147.48 148.14 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 tt -140.88 124.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.07 -177.81 16.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -86.75 -40.18 15.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -97.93 -35.45 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -121.03 161.67 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.665 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 47.64 28.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -41.37 -25.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -103.47 139.7 38.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.492 ' CD2' HD22 ' A' ' 72' ' ' LEU . 70.7 t-105 -83.57 96.73 8.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -145.73 154.45 42.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 17.4 ttpp -73.87 120.72 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -134.96 145.48 48.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -60.45 104.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 12.0 m-85 -100.81 140.06 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.482 HG13 ' OG ' ' A' ' 11' ' ' SER . 62.1 t -141.83 130.68 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 tp -82.72 118.65 23.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -111.41 151.46 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 58.6 tt0 -105.87 107.28 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 t -79.31 -59.18 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.8 t -121.5 172.82 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -47.31 -39.5 14.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.15 37.49 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 m -140.8 133.12 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.844 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.9 m-85 -135.84 166.17 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.934 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.62 150.73 30.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.508 ' HG2' HD11 ' A' ' 58' ' ' LEU . 72.0 mmm -92.36 106.5 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.624 ' SG ' HD13 ' A' ' 55' ' ' LEU . 85.3 m -100.27 116.84 33.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -99.78 77.75 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.89 141.77 16.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -91.63 -18.11 24.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' N ' ' HB3' ' A' ' 50' ' ' ALA . 8.3 tt0 -161.73 161.99 29.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -38.21 -44.61 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 4.3 tppt? -107.67 -42.45 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' N ' ' A' ' 47' ' ' GLU . . . -34.09 132.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.42 151.2 96.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 93.24 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.344 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -50.33 -59.04 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -93.68 137.23 33.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.934 HD11 ' HB1' ' A' ' 41' ' ' ALA . 18.7 tp -146.04 133.44 20.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.487 HD21 HG21 ' A' ' 88' ' ' VAL . 18.6 tp -123.63 107.3 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -74.58 125.46 28.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 109' ' ' THR . 1.7 mt -96.68 38.36 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -69.84 -21.01 63.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.25 -0.87 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.711 ' O ' HG21 ' A' ' 109' ' ' THR . 11.9 m-85 -74.11 136.09 42.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -109.18 95.09 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 105' ' ' MET . 3.7 p -83.0 142.73 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -171.7 149.88 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.0 m-85 -52.11 136.48 29.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 t -144.14 163.18 34.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -65.79 157.65 78.61 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.74 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -58.02 143.02 78.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.29 -52.67 0.81 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 25' ' ' TRP . 20.9 mt -68.62 123.25 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 74' ' ' GLY . 5.6 tp10 -112.37 -61.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.3 107.72 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.1 144.9 16.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -90.4 -50.9 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.801 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -67.03 141.89 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 53.8 m-85 -127.89 115.41 18.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.2 p90 -140.15 124.52 17.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -122.87 164.26 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.39 152.58 32.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -110.84 125.63 68.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.3 tptm -123.74 155.84 37.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 28.4 mm-40 -34.48 -56.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.77 18.9 3.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.9 148.13 50.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -138.14 122.76 18.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.487 HG21 HD21 ' A' ' 56' ' ' LEU . 28.4 t -129.7 140.54 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 90' ' ' PHE . 23.8 mt -110.99 157.93 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 92.6 m-85 -143.81 153.08 42.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.87 150.71 34.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.5 p -123.58 -175.88 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -86.89 -41.32 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 95' ' ' GLU . 21.0 t0 -119.8 155.68 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 46.7 tt0 -66.12 -40.21 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.587 ' HA ' HD12 ' A' ' 99' ' ' ILE . 0.7 OUTLIER -58.11 -43.34 87.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.561 ' HA ' HD12 ' A' ' 100' ' ' LEU . 6.8 m-20 -55.02 -50.25 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.801 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 46.2 ttp180 -45.88 -46.71 15.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 96' ' ' GLN . 29.7 mt -55.06 -50.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 97' ' ' ASP . 19.0 mt -51.96 -46.17 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.708 ' CE2' HD11 ' A' ' 14' ' ' LEU . 68.0 m95 -67.52 -44.27 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.964 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 37.3 t -58.43 -40.48 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -64.06 -44.73 91.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.576 ' HB2' HG11 ' A' ' 63' ' ' VAL . 84.0 mtp -47.74 -30.84 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 0.7 OUTLIER -60.79 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -72.84 -36.93 67.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.844 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -51.83 -43.12 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.711 HG21 ' O ' ' A' ' 61' ' ' TYR . 9.8 p -81.51 -48.32 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.72 25.15 23.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -51.81 177.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.9 m -99.74 -40.16 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -87.8 99.29 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 34.9 tttp -63.96 135.57 96.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.91 26.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.676 HG23 ' HD2' ' A' ' 117' ' ' PRO . 5.0 p -104.53 138.66 19.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.1 Cg_endo -69.76 113.83 3.5 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 54.0 Cg_endo -69.78 179.38 3.75 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.745 2.297 . . . . 0.0 112.303 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -161.75 123.73 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -126.61 153.13 45.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -75.7 -62.64 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -170.37 -99.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -45.2 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 m 62.66 37.76 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.8 m -125.78 83.67 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t 53.99 42.59 31.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 66.25 41.22 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.43 102.67 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m -80.93 -48.45 12.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -129.47 152.51 48.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 69.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.62 159.86 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HB2' HD23 ' A' ' 32' ' ' LEU . 27.7 mmtm -103.28 -51.55 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -125.53 154.48 42.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.1 p -151.14 163.29 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.08 167.26 11.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -85.16 128.81 34.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.886 0.374 . . . . 0.0 110.951 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD11 ' CE2' ' A' ' 101' ' ' TRP . 18.5 mt -141.98 160.86 39.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.3 m95 -99.06 117.92 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -135.88 153.18 51.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 tt -148.85 127.33 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.98 -157.39 9.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.533 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -101.41 -42.82 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -93.7 -39.97 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.654 HG23 ' CE3' ' A' ' 22' ' ' TRP . 19.4 m -113.92 169.02 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.654 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.1 m-90 37.87 38.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -43.69 -22.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.9 mmt85 -106.11 164.73 11.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.1 t-105 -105.92 95.53 5.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -146.32 154.19 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 33.9 tttp -70.08 120.36 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -130.65 154.84 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -69.33 98.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 19.8 m-85 -96.49 138.77 33.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.3 t -139.0 122.4 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 9' ' ' LYS . 30.3 tp -79.46 103.25 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.4 t -99.12 141.71 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 61.6 tt0 -98.29 101.59 13.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 t -71.3 -61.64 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -115.6 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 16.5 tp60 -48.96 -40.94 32.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 2.0 m-85 -125.25 33.12 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 m -136.82 136.5 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 20.1 m-85 -138.86 163.99 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.13 149.57 30.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 63.7 mmm -92.85 103.73 16.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.7 m -99.24 124.91 44.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.7 p -103.9 81.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -65.92 111.45 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -74.97 -11.98 60.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -158.91 175.49 13.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HG3' ' CD ' ' A' ' 49' ' ' LYS . 7.6 ptpp? -67.33 -33.42 75.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -109.43 -50.89 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.31 115.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.87 151.54 53.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.698 0.761 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.47 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -49.52 -51.74 34.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -95.3 134.13 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.815 HD21 ' HB1' ' A' ' 41' ' ' ALA . 6.2 tt -149.16 115.4 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.692 HD11 ' OH ' ' A' ' 61' ' ' TYR . 21.5 tp -105.8 110.27 22.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -73.09 128.0 34.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.666 ' HB3' HG22 ' A' ' 109' ' ' THR . 57.6 mt -93.43 35.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -79.95 43.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.27 -36.7 0.52 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.692 ' OH ' HD11 ' A' ' 56' ' ' LEU . 11.3 m-85 -39.15 144.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.498 HG23 ' CD ' ' A' ' 111' ' ' GLN . 36.6 m -115.4 93.91 4.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.748 HG11 ' HB2' ' A' ' 105' ' ' MET . 3.8 p -83.59 133.87 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -161.51 155.78 22.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 10.8 m-85 -61.47 134.69 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.419 HG21 ' ND2' ' A' ' 80' ' ' ASN . 11.4 t -146.37 162.06 39.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.68 152.83 44.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.739 . . . . 0.0 110.854 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.558 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.77 105.11 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 69' ' ' GLN . 1.1 mp0 -46.77 138.05 7.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.679 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 102.51 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' LEU . . . 128.24 -62.13 0.64 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.523 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD11 HD13 ' A' ' 89' ' ' ILE . 27.3 mt -36.03 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.64 113.71 26.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.415 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -177.41 -44.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.95 178.8 18.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -89.03 -61.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.759 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -69.25 144.87 53.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 78.4 m-85 -129.17 118.15 21.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.4 p90 -136.54 121.88 19.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.419 ' ND2' HG21 ' A' ' 66' ' ' THR . 33.4 p30 -111.59 173.78 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -127.86 139.28 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.76 126.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 12.6 tptm -124.23 156.04 37.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 83' ' ' LYS . 9.6 mm-40 -32.84 -44.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.22 24.21 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.23 148.21 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 m -138.73 117.51 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.588 HG12 ' CE1' ' A' ' 90' ' ' PHE . 49.9 t -131.5 140.62 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 72' ' ' LEU . 6.3 mt -111.74 153.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CE1' HG12 ' A' ' 88' ' ' VAL . 46.4 m-85 -141.73 163.03 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.527 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -147.05 174.89 11.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 45.3 p -147.39 176.53 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.66 -43.26 56.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.19 156.32 49.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 20.8 tt0 -53.79 -44.74 70.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.22 67.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -54.49 -46.07 73.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.759 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 52.5 ttp180 -47.42 -61.78 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -40.54 -61.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -39.28 -40.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.598 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.1 m95 -77.83 -51.96 9.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.441 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 25.1 t -48.46 -49.82 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.37 -50.83 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.14 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.748 ' HB2' HG11 ' A' ' 63' ' ' VAL . 86.0 mtp -46.89 -33.0 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.498 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 7.3 t80 -59.48 -57.39 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mtt-85 -64.09 -40.7 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.52 -35.13 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 105' ' ' MET . 21.8 p -89.07 -41.29 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.49 37.38 31.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.498 ' CD ' HG23 ' A' ' 62' ' ' THR . 6.6 pt20 -59.97 174.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -87.17 -45.01 11.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -91.97 117.3 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 19.0 tttp -76.15 134.54 70.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.08 52.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 117' ' ' PRO . 5.5 p -125.57 138.63 32.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.4 Cg_endo -69.74 124.19 10.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -176.24 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.8 t -174.46 137.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.79 129.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -174.87 111.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -141.44 147.07 18.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.22 63.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.1 t -172.62 130.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.1 m -72.0 -59.99 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t 56.86 42.32 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -134.09 160.22 38.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.64 -77.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.52 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -39.46 -61.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -88.82 -53.52 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.52 -46.12 1.09 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -38.47 133.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.696 ' HB2' HD23 ' A' ' 32' ' ' LEU . 29.2 mmmt -107.32 -54.35 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -140.62 162.05 36.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.0 p -157.82 143.76 17.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.05 150.2 5.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -53.29 136.99 35.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.908 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD11 ' CE2' ' A' ' 101' ' ' TRP . 93.4 mt -151.23 159.68 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -112.58 119.44 38.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -141.87 154.5 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 tt -147.53 120.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.38 -172.44 15.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -86.81 -43.1 12.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -93.85 -39.11 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG23 ' CE3' ' A' ' 22' ' ' TRP . 27.2 m -116.67 159.64 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.637 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.7 m-90 50.18 30.32 4.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -39.83 -31.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -105.39 147.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.643 ' CE3' HD22 ' A' ' 72' ' ' LEU . 75.1 t-105 -85.31 99.54 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -140.24 154.33 46.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 22.4 tttm -81.8 110.39 17.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -127.58 165.15 20.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -78.24 107.19 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 21.3 m-85 -98.65 140.2 33.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.1 t -139.58 141.98 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' ' 9' ' ' LYS . 46.8 tp -96.6 106.37 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.2 t -100.41 139.53 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -96.34 101.71 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 t -71.36 -64.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -116.92 178.52 4.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -52.68 -41.55 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -124.84 37.13 4.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -142.04 136.37 30.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 36.7 m-85 -137.65 168.4 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.82 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.89 143.16 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.402 ' HG2' HD11 ' A' ' 58' ' ' LEU . 81.3 mmm -92.27 103.14 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.0 m -92.44 131.83 37.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.7 t -109.89 111.31 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -104.39 137.2 42.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -118.9 -52.42 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 2.6 tt0 -97.43 159.32 14.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 49' ' ' LYS . 1.1 ptpm? -63.47 -49.48 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 48' ' ' LYS . 15.6 mtmm -111.13 60.63 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . . . -139.87 141.19 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -76.32 150.1 82.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 91.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -57.21 -47.08 82.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -94.32 121.57 35.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.82 HD21 ' HB1' ' A' ' 41' ' ' ALA . 2.1 tt -142.61 114.43 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' CD2' HG21 ' A' ' 88' ' ' VAL . 16.7 tp -109.44 114.42 28.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 61' ' ' TYR . 11.0 mt-30 -76.75 137.49 39.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.85 ' O ' HG22 ' A' ' 109' ' ' THR . 10.0 mt -105.54 38.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.18 -68.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.73 18.64 29.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 18.2 m-85 -75.65 150.15 38.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.51 HG22 ' OD2' ' A' ' 64' ' ' ASP . 9.4 m -122.19 94.49 4.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.778 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.5 p -82.76 135.0 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.51 ' OD2' HG22 ' A' ' 62' ' ' THR . 24.6 m-20 -158.95 -177.8 6.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -83.42 129.17 34.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -137.8 154.08 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.65 153.35 83.69 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.7 Cg_endo -69.79 96.59 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -47.41 140.54 7.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.08 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.54 -52.71 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.643 HD22 ' CE3' ' A' ' 25' ' ' TRP . 18.5 mt -65.67 108.48 2.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -109.45 64.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.61 96.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 155.69 16.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -88.54 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.653 ' HB3' ' OG ' ' A' ' 92' ' ' SER . . . -69.07 146.08 52.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 40.5 m-85 -131.33 124.99 31.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.9 p90 -143.32 120.14 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 55.6 p30 -114.44 156.26 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.37 155.38 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.21 129.06 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 21.6 tptm -126.5 156.93 39.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 44.3 mm-40 -33.91 -52.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.44 18.82 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -127.17 144.65 50.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -135.54 137.27 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.623 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.7 t -144.99 137.9 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 mt -109.87 148.07 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.623 ' CE1' HG12 ' A' ' 88' ' ' VAL . 48.5 m-85 -137.72 163.38 31.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.17 162.66 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.653 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 24.6 p -135.11 167.36 21.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.798 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.12 -52.83 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.6 164.56 16.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -62.37 -46.15 89.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -51.31 -53.15 38.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -44.14 -52.63 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.582 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 41.3 ttp180 -44.53 -65.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ARG . 77.1 mt -36.82 -53.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 mt -50.96 -41.14 59.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.624 ' CE2' HD11 ' A' ' 14' ' ' LEU . 67.5 m95 -73.64 -47.14 42.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 106' ' ' TYR . 55.1 t -57.75 -37.84 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -67.42 -44.79 77.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.41 -62.15 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.778 ' HB2' HG11 ' A' ' 63' ' ' VAL . 67.1 mtp -51.6 -31.26 24.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 5.4 t80 -59.48 -53.62 56.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -67.73 -36.76 81.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.24 -44.39 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 58' ' ' LEU . 61.5 p -81.05 -45.42 16.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.6 32.32 13.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -54.48 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -104.46 -39.19 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -86.46 101.58 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 39.0 tttm -62.98 125.75 87.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.38 47.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 117' ' ' PRO . 85.0 t -135.83 136.96 24.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.5 Cg_endo -69.8 135.06 29.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 164.24 35.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -111.95 40.52 2.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -53.3 153.29 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.6 t -94.51 -60.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.31 174.35 13.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 124' ' ' SER . 53.8 Cg_endo -69.8 2.86 3.18 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 123' ' ' PRO . 26.3 m -34.7 -59.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 m -83.27 163.5 20.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -126.28 55.21 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -154.23 115.34 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.13 136.08 1.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -112.62 110.47 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -134.18 92.95 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.87 -81.13 0.44 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ttm -45.17 121.84 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.761 ' HB2' HD23 ' A' ' 32' ' ' LEU . 23.6 mmtp -103.55 -54.32 2.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 100' ' ' LEU . 22.1 m-70 -135.42 140.27 44.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.564 ' CB ' HG22 ' A' ' 31' ' ' VAL . 88.5 p -143.24 141.82 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.68 159.32 9.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -62.81 129.24 39.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 101' ' ' TRP . 96.7 mt -143.76 159.28 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.2 m95 -108.53 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -134.81 158.4 44.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.6 tt -154.22 124.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.44 -164.51 12.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 mttt -92.91 -43.67 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -98.35 -33.81 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG23 ' CE3' ' A' ' 22' ' ' TRP . 30.4 m -115.26 159.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.4 m-90 43.68 35.03 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -43.14 -27.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -105.27 149.35 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.2 t-105 -89.57 100.09 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -142.29 156.2 45.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 14.6 tttt -83.95 112.59 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -130.35 160.05 35.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -69.57 116.18 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 12.9 m-85 -108.93 141.49 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG22 ' CB ' ' A' ' 11' ' ' SER . 24.6 t -140.75 139.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.761 HD23 ' HB2' ' A' ' 9' ' ' LYS . 19.3 tp -93.17 105.38 17.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 t -98.99 140.96 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 37.3 tt0 -96.7 103.73 15.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.37 -62.2 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -113.99 170.88 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -46.82 -39.95 12.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.64 35.63 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -139.15 136.15 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 11.6 m-85 -135.8 166.77 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.879 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.34 149.77 31.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 mmm -92.47 108.15 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 23.2 m -100.02 115.16 29.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 t -96.49 101.17 12.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -90.89 135.73 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -100.1 -65.39 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.91 169.87 15.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -46.95 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -125.35 90.45 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' GLU . . . -157.05 135.12 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' ALA . 38.8 mm-40 -37.52 147.49 0.23 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.63 0.729 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 53.8 Cg_endo -69.74 101.15 0.87 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' PRO . 13.0 mt-30 -36.92 -31.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' PRO . 27.8 mp0 -137.02 154.86 50.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.879 HD11 ' HB1' ' A' ' 41' ' ' ALA . 14.3 tp -154.84 129.88 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.631 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 16.3 tp -126.58 108.93 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -78.35 121.66 24.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.706 ' HB3' HG22 ' A' ' 109' ' ' THR . 5.1 mt -87.03 35.04 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -44.96 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -129.38 -22.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.631 ' CZ ' HD11 ' A' ' 56' ' ' LEU . 17.6 m-85 -34.97 139.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.494 HG23 ' CB ' ' A' ' 111' ' ' GLN . 3.5 m -114.0 100.14 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 105' ' ' MET . 4.1 p -82.86 146.89 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.49 167.64 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' HG11 ' A' ' 102' ' ' VAL . 11.3 m-85 -76.2 136.51 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -144.93 170.18 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.9 153.32 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.662 0.744 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.74 115.57 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -66.49 141.1 96.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 108.83 2.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.47 -62.7 0.61 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -50.78 114.21 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.314 . . . . 0.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 8.6 pt-20 -122.4 90.73 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.495 ' HA3' ' CD2' ' A' ' 15' ' ' TRP . . . -144.05 -56.55 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -174.47 13.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.514 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 30.8 ttm-85 -87.7 -67.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.78 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -62.82 146.24 53.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 68' ' ' PRO . 74.6 m-85 -131.42 109.27 10.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -123.61 125.43 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.3 p30 -120.81 155.65 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.16 153.7 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 24.6 t -118.07 124.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 15.5 tptp -120.59 154.57 35.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.4 mm-40 -31.83 -44.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.25 19.24 1.54 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.427 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -127.29 146.61 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.5 m -138.77 129.45 26.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.459 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.7 t -138.24 141.99 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mt -111.86 150.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.706 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 89.9 m-85 -138.55 161.94 35.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.73 150.19 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 80.2 p -123.47 171.58 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -72.04 -49.47 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -119.58 152.69 36.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.99 -26.68 66.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -65.79 -45.02 83.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.2 m-20 -56.03 -51.14 68.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.78 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 14.3 ttp180 -39.23 -49.36 1.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 34.6 mt -59.3 -46.86 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 13.5 mt -53.91 -30.74 47.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.7 ' CE2' HD11 ' A' ' 14' ' ' LEU . 78.1 m95 -85.04 -46.39 11.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.556 HG11 ' CE1' ' A' ' 65' ' ' TYR . 97.3 t -57.65 -45.73 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -60.32 -46.96 88.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.715 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.1 mtp -47.93 -33.22 7.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.2 t80 -56.41 -47.03 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -75.91 -34.01 59.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -59.73 -36.52 76.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 58' ' ' LEU . 16.3 p -88.33 -38.99 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.38 34.57 44.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.494 ' CB ' HG23 ' A' ' 62' ' ' THR . 23.9 pt20 -56.04 177.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -101.06 -21.64 14.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.4 ' O ' ' OE1' ' A' ' 111' ' ' GLN . 70.5 t60 -104.06 113.54 27.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -70.62 124.3 90.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.24 37.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.579 HG23 ' HD2' ' A' ' 117' ' ' PRO . 8.2 p -121.7 137.36 27.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.8 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.436 ' HG3' ' NH2' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.77 151.25 68.98 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -147.18 121.78 9.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -124.86 110.28 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.0 p -146.75 145.18 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.47 146.47 18.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -36.96 9.94 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 88.0 p -79.38 139.34 37.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.1 t -104.79 -57.02 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -88.26 136.82 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -143.19 139.55 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.61 -89.41 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.431 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.6 t -36.57 -41.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.866 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -59.43 -59.31 5.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.3 -56.72 1.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.9 mtt -79.08 103.65 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.712 ' HB2' HD23 ' A' ' 32' ' ' LEU . 66.0 mmtt -78.22 -41.58 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -160.17 148.94 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 p -147.36 175.2 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.64 146.06 5.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -51.52 131.1 29.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 101' ' ' TRP . 90.4 mt -143.99 160.25 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.1 m95 -107.93 118.91 37.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -143.42 156.79 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.7 tt -148.93 133.03 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.64 -169.74 12.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.519 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -93.88 -39.51 10.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.96 -24.05 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' LYS . 24.0 m -127.85 165.38 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.477 ' NE1' ' HB2' ' A' ' 54' ' ' GLU . 4.5 m-90 37.11 29.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' VAL . 69.0 mttt -41.87 -28.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -99.69 136.26 39.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.748 ' CE3' HD22 ' A' ' 72' ' ' LEU . 75.8 t-105 -77.09 98.79 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -141.26 156.55 45.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 5.6 ttpp -88.5 112.06 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.532 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -130.76 160.12 35.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -68.05 125.31 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' CE1' ' HG3' ' A' ' 28' ' ' ARG . 15.5 m-85 -116.57 137.35 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -140.26 122.5 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 9' ' ' LYS . 20.2 tp -80.57 105.55 11.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.3 t -93.39 137.32 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 38.1 tt0 -88.43 95.36 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.0 t -67.02 -66.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -113.76 -176.94 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -53.62 -47.17 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -120.89 27.5 8.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -128.9 138.58 52.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 43.6 m-85 -137.65 168.63 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.854 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.12 146.68 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.0 mmt -93.74 104.81 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -96.68 119.29 34.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -101.78 84.92 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.27 139.21 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -97.49 -41.73 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -134.28 145.07 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -46.34 -50.73 15.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -95.44 61.46 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.43 177.95 10.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -110.82 152.03 43.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.649 0.738 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 99.1 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -51.62 -48.19 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 25.8 mp0 -105.4 132.01 52.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.854 HD21 ' HB1' ' A' ' 41' ' ' ALA . 5.0 tt -142.09 114.34 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.85 116.82 32.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -85.06 128.78 34.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 109' ' ' THR . 3.6 mt -98.24 37.57 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.6 -21.83 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.4 14.96 1.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.582 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 13.0 m-85 -80.72 142.72 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.025 0.441 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.8 m -112.34 95.26 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.733 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.4 p -84.34 128.9 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.21 165.54 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.436 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 24.5 m-85 -67.89 141.32 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 170.75 16.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.05 158.33 74.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.74 109.12 2.23 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.54 139.01 97.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 93.68 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.4 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 152.45 -46.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.748 HD22 ' CE3' ' A' ' 25' ' ' TRP . 56.3 mt -70.1 108.78 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -124.35 64.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -123.12 -43.37 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.42 -172.84 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -95.49 -69.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 95' ' ' GLU . . . -55.95 145.06 26.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 34.1 m-85 -130.41 121.5 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 6.2 p90 -147.46 126.59 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -126.0 154.69 42.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.77 141.14 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 49.0 t -106.7 127.02 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.582 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 12.8 tptm -118.45 156.91 28.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.9 mt-10 -33.59 -49.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.61 11.39 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.51 149.12 45.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 m -138.71 139.26 38.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 90' ' ' PHE . 70.3 t -144.74 138.81 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.9 mt -107.28 152.71 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 88' ' ' VAL . 66.0 m-85 -142.64 156.24 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.96 149.03 31.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.42 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 6.1 t -119.52 -179.97 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 97' ' ' ASP . 0.7 OUTLIER -142.42 162.45 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 10.2 tm-20 -64.12 -38.64 91.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -55.74 -41.16 73.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.45 ' CG ' ' OD1' ' A' ' 94' ' ' ASP . 73.2 m-20 -63.97 -52.45 59.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.497 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 33.2 ttp180 -41.79 -45.41 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.52 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.428 ' H ' HD12 ' A' ' 100' ' ' LEU . 7.3 mp -56.19 -36.54 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.578 ' CE2' HD11 ' A' ' 14' ' ' LEU . 50.5 m95 -71.83 -43.22 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.96 -45.89 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -56.82 -47.1 81.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.48 -57.55 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.058 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.733 ' CB ' HG11 ' A' ' 63' ' ' VAL . 40.3 mmm -51.65 -38.84 56.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 10.8 t80 -55.62 -57.62 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -62.28 -39.15 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 40' ' ' PHE . . . -55.59 -40.85 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' ' 58' ' ' LEU . 46.0 p -79.75 -46.74 16.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.5 34.65 9.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.415 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 4.1 pt20 -67.22 170.02 7.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.5 t -101.28 -27.54 13.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -86.06 69.86 10.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 16.6 tttm -40.86 123.4 1.94 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.408 ' CD ' ' CD1' ' A' ' 106' ' ' TYR . 53.6 Cg_endo -69.74 142.55 48.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 117' ' ' PRO . 99.6 t -115.06 138.91 23.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.77 110.32 2.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.5 53.19 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.7 p -110.95 104.23 12.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -91.88 96.42 10.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -133.49 131.44 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.48 170.94 40.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 109.23 2.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 84.1 p -83.79 166.11 18.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.9 t 62.86 43.48 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -93.88 131.35 39.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.839 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -42.58 156.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.14 112.81 3.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -63.65 -51.17 66.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -146.24 132.19 19.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.99 6.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.1 mtp -41.83 115.56 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -114.03 -54.02 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -132.05 157.02 45.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -157.5 158.11 35.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 159.41 8.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.65 135.01 54.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.957 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 101' ' ' TRP . 34.1 mt -152.75 141.77 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.631 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 7.5 m95 -86.5 118.01 25.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -139.98 149.13 42.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.51 124.23 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.53 177.42 16.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -45.17 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -90.47 -39.91 12.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG23 ' CE3' ' A' ' 22' ' ' TRP . 25.2 m -118.68 155.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.72 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.4 m-90 51.25 38.08 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -47.47 -26.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -101.62 149.88 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.671 ' CD2' HD22 ' A' ' 72' ' ' LEU . 72.8 t-105 -87.3 95.4 9.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 34.6 tptt -140.61 152.63 45.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 16.2 ttmt -89.1 117.74 28.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.562 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -134.95 169.56 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -67.5 126.57 29.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 18.1 m-85 -124.44 125.31 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.33 135.36 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.201 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.4 tp -85.72 106.94 17.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.87 137.17 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 41.9 tt0 -95.47 96.18 8.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -63.89 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 p -135.16 -175.11 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -46.27 -59.58 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.06 41.31 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.426 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.4 m -142.25 137.32 30.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 23.0 m-85 -142.72 168.19 20.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.803 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.8 143.62 23.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 78.8 mmm -92.39 104.17 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.432 ' SG ' HD13 ' A' ' 55' ' ' LEU . 3.8 m -94.22 128.77 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t -111.13 88.06 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ARG . 76.8 m-85 -68.31 116.17 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.86 ' NH1' ' HB1' ' A' ' 50' ' ' ALA . 10.7 ttm105 -36.16 -64.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.611 ' H ' ' HB3' ' A' ' 50' ' ' ALA . 1.8 pt-20 -130.17 175.98 8.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.55 -39.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -131.94 86.49 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.86 ' HB1' ' NH1' ' A' ' 46' ' ' ARG . . . -167.61 130.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.22 149.27 1.33 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 91.43 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.379 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' C ' ' OE1' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -47.22 -61.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB2' ' NE1' ' A' ' 22' ' ' TRP . 33.6 mp0 -100.07 130.76 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.803 HD11 ' HB1' ' A' ' 41' ' ' ALA . 22.9 tp -131.26 140.45 49.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' H ' HD12 ' A' ' 55' ' ' LEU . 23.1 tp -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -68.74 136.71 53.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' HB3' HG22 ' A' ' 109' ' ' THR . 62.5 mt -98.56 30.51 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -79.34 80.47 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.96 -34.45 3.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.8 m-85 -45.42 140.03 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.436 HG22 ' OD2' ' A' ' 64' ' ' ASP . 5.2 m -111.62 95.79 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 105' ' ' MET . 7.5 p -84.08 138.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 63' ' ' VAL . 16.2 m-20 -164.2 167.73 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -69.08 135.49 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -145.13 154.44 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.28 161.58 48.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.8 106.3 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.307 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -53.37 139.5 47.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.09 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 163.19 -54.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.671 HD22 ' CD2' ' A' ' 25' ' ' TRP . 13.8 mt -68.63 143.27 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -128.54 -54.8 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 94.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.56 134.99 3.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -85.67 -53.97 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.54 144.56 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 45.1 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.0 p90 -149.39 127.15 11.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 56.1 p30 -125.22 168.31 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.82 149.33 40.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.1 t -109.61 128.27 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 12.7 tptm -128.59 156.36 43.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 40.6 mt-10 -33.66 -58.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -136.7 21.18 3.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.478 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.02 146.45 50.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.4 m -138.59 129.64 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.19 131.74 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 90' ' ' PHE . 13.0 mt -103.35 156.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 91.3 m-85 -142.45 154.64 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . . . -148.93 146.63 27.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.41 ' HA ' HD23 ' A' ' 14' ' ' LEU . 76.4 p -118.57 172.77 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.51 -49.25 50.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -119.49 148.05 43.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 44.8 tt0 -50.49 -44.66 55.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -50.11 -56.45 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.05 -53.15 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.725 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 50.4 ttp180 -43.87 -64.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.598 HG22 ' OE1' ' A' ' 103' ' ' GLN . 50.7 mt -36.79 -62.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.1 mt -44.94 -45.93 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.559 ' CE2' HD11 ' A' ' 14' ' ' LEU . 71.5 m95 -65.16 -50.17 66.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.26 -40.93 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.598 ' OE1' HG22 ' A' ' 99' ' ' ILE . 56.3 mt-30 -63.33 -44.14 95.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.31 -63.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.54 ' HB2' HG11 ' A' ' 63' ' ' VAL . 81.6 mtp -47.68 -37.56 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -51.72 -48.36 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -75.89 -40.94 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -53.49 -38.16 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.408 HG22 ' HB3' ' A' ' 58' ' ' LEU . 60.1 p -75.85 -51.05 13.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 99.65 31.22 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.59 -176.35 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -128.45 12.74 6.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 114' ' ' LYS . 60.2 m-70 -106.26 60.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 113' ' ' HIS . 6.5 mtpm? -33.89 97.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 113' ' ' HIS . 53.9 Cg_endo -69.77 143.72 51.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.441 HG23 ' HD2' ' A' ' 117' ' ' PRO . 6.3 p -128.21 133.0 24.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.638 0.732 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 118' ' ' PRO . 53.6 Cg_endo -69.76 110.3 2.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.9 Cg_endo -69.76 179.02 3.99 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 39.1 p -121.27 103.77 9.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -78.29 145.51 35.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.2 m -134.94 102.87 5.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -101.37 146.19 17.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.48 37.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.3 p -48.63 137.76 11.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.4 m 41.37 42.64 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 6.7 t -108.31 139.87 42.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 12.6 p 37.13 43.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.45 126.74 10.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -142.26 142.2 32.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.378 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -85.69 83.54 7.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 9' ' ' LYS . . . -140.38 -86.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' GLY . 37.5 mtp 36.64 29.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 7' ' ' GLY . 28.3 mmtm -38.42 -62.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.588 ' HB3' ' CH2' ' A' ' 101' ' ' TRP . 3.2 m-70 -111.65 166.89 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.3 p -174.96 127.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.61 157.05 9.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -61.58 133.04 55.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.985 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.5 mt -151.07 162.25 41.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.6 m95 -109.22 116.77 32.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -134.38 155.24 50.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.1 tt -150.3 129.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.47 -171.73 13.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.61 -41.67 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -97.69 -38.69 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.677 HG23 ' CE3' ' A' ' 22' ' ' TRP . 16.6 m -113.98 158.48 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.677 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.2 m-90 46.77 33.27 2.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -39.26 -29.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -104.24 163.37 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.706 ' CE3' HD22 ' A' ' 72' ' ' LEU . 66.4 t-105 -103.94 101.97 11.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -146.73 157.36 43.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 20.8 ttpp -76.19 113.66 13.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 28' ' ' ARG . 15.5 ttm105 -131.47 167.56 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -82.53 116.08 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.656 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 40.4 m-85 -112.49 136.06 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.26 129.81 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 9' ' ' LYS . 32.6 tp -84.36 103.08 13.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.5 t -95.64 136.28 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 40.0 tt0 -89.75 101.03 13.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 t -72.92 -62.08 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -118.09 175.34 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -50.18 -41.28 49.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -125.9 33.38 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 m -139.19 133.05 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 15.3 m-85 -134.06 169.95 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB1' ' CD2' ' A' ' 55' ' ' LEU . . . -151.98 144.09 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.591 ' HG2' HD11 ' A' ' 58' ' ' LEU . 82.0 mmm -91.96 101.06 13.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.7 m -90.95 139.32 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -110.91 101.19 9.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.82 134.57 34.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.82 -36.54 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -127.03 178.19 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -48.47 -69.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -115.31 78.84 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.02 147.7 49.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -55.03 145.84 41.99 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 94.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -40.37 -49.72 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' CG ' ' HB ' ' A' ' 21' ' ' VAL . 12.5 mp0 -123.9 132.07 53.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 5.4 tt -134.44 113.27 11.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.84 120.65 42.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -81.43 126.21 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.803 ' O ' HG22 ' A' ' 109' ' ' THR . 9.1 mt -97.84 40.18 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.72 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.38 4.51 62.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 13.8 m-85 -60.65 146.33 45.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.44 HG23 ' CD ' ' A' ' 111' ' ' GLN . 56.0 m -124.62 96.97 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 ' HB2' ' A' ' 105' ' ' MET . 2.1 p -83.82 141.24 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -168.4 148.48 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 12.7 m-85 -49.85 139.24 13.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.2 t -145.46 160.66 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.5 156.64 91.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.77 98.44 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.365 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -53.46 138.41 49.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 93.35 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 159.69 -54.81 0.35 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.706 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.4 mt -61.39 129.18 39.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -129.23 68.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -169.73 91.32 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.7 155.98 9.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -93.32 -51.48 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.775 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -73.74 147.16 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 68' ' ' PRO . 30.4 m-85 -131.45 127.98 38.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 7.3 p90 -153.89 126.65 8.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -123.1 160.69 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.21 155.48 21.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.6 t -118.09 125.82 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 21.1 tptm -125.68 156.83 38.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 83' ' ' LYS . 18.8 mt-10 -33.67 -60.85 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.58 20.14 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -126.93 146.69 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 m -138.88 132.97 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 90' ' ' PHE . 63.2 t -141.24 139.48 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.4 mt -110.73 147.24 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.628 ' CE1' HG12 ' A' ' 88' ' ' VAL . 23.3 m-85 -134.81 163.76 29.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.12 167.07 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 1.9 m -140.56 162.97 34.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -81.02 -39.2 26.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -117.12 136.44 53.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -56.05 -32.36 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -49.13 77.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.775 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 44.5 ttp180 -43.96 -58.51 2.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.3 mt -46.39 -59.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.84 -48.07 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.588 ' CH2' ' HB3' ' A' ' 10' ' ' HIS . 65.4 m95 -63.26 -47.25 83.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.43 HG11 ' CE1' ' A' ' 65' ' ' TYR . 50.4 t -57.31 -35.07 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.32 -43.08 71.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 -60.46 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.664 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.6 mtp -50.32 -34.44 23.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -58.13 -56.59 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.6 -32.7 74.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.471 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -56.86 -44.19 81.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.803 HG22 ' O ' ' A' ' 58' ' ' LEU . 71.1 p -80.63 -44.74 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.4 24.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.44 ' CD ' HG23 ' A' ' 62' ' ' THR . 11.2 pt20 -50.61 -178.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -94.66 -38.92 10.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -83.95 -178.16 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -135.27 122.86 15.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.84 33.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.646 HG23 ' HD2' ' A' ' 117' ' ' PRO . 6.6 p -119.5 138.36 26.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.664 0.745 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.5 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.33 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 173.22 11.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 119' ' ' THR . 9.1 t -148.36 111.18 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -68.89 124.34 23.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.3 t -88.27 82.35 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -120.91 83.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.4 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -52.08 133.65 33.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 86.8 p -45.18 138.19 4.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -149.86 132.89 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 m -140.03 137.14 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.92 161.47 26.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -173.25 138.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 m -54.38 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.16 78.72 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -101.2 143.95 30.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -109.73 -65.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.478 ' CD2' ' H ' ' A' ' 11' ' ' SER . 3.0 t60 -126.05 169.19 13.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.478 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 59.7 p -160.91 154.9 22.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.37 156.75 7.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.24 137.11 57.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.962 0.41 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 101' ' ' TRP . 49.9 mt -152.6 160.18 43.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -108.34 117.67 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -140.66 156.48 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.068 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.2 tt -148.72 128.52 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.12 -164.41 12.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -96.91 -44.69 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.01 -35.79 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG23 ' CE3' ' A' ' 22' ' ' TRP . 32.2 m -119.76 162.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.493 ' CD1' ' OE1' ' A' ' 54' ' ' GLU . 4.8 m-90 44.59 31.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -42.3 -24.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' TRP . 55.7 mtm-85 -104.86 143.99 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.8 t-105 -84.16 84.71 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -128.34 157.28 41.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 21.2 ttpp -87.85 117.85 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -134.52 160.94 36.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -65.32 104.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.8 m-85 -99.74 135.38 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 11' ' ' SER . 93.6 t -138.28 143.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 tp -98.36 114.89 27.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -112.65 141.37 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 18.5 tt0 -96.13 106.88 19.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.08 -57.11 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -120.44 166.35 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -40.95 -46.32 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m-85 -122.63 39.51 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 m -142.75 132.29 23.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.47 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 14.7 m-85 -131.24 166.31 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 1.076 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -150.79 148.96 29.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.693 ' HG2' HD11 ' A' ' 58' ' ' LEU . 16.4 mmm -95.01 104.42 16.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 95.6 m -93.84 123.03 36.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.0 m -107.03 111.34 23.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 43' ' ' CYS . 3.9 m-85 -106.44 159.32 16.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 -119.7 -43.55 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.69 167.92 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -62.29 -50.99 69.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 91.36 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -168.85 147.41 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 149.99 97.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 116.5 4.59 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.42 -48.39 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' OE1' ' CD1' ' A' ' 22' ' ' TRP . 14.9 mt-10 -110.42 149.47 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.076 HD11 ' HB1' ' A' ' 41' ' ' ALA . 8.0 tp -153.04 135.99 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.73 ' N ' HD12 ' A' ' 55' ' ' LEU . 17.0 tp -129.5 110.28 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -73.47 117.25 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.695 ' HB3' HG22 ' A' ' 109' ' ' THR . 12.3 mt -92.16 37.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -65.24 -28.85 69.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.56 -22.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 10.6 m-85 -45.61 142.06 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.981 0.42 . . . . 0.0 110.929 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.462 HG23 ' CB ' ' A' ' 111' ' ' GLN . 25.9 m -120.86 96.51 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.466 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.4 p -82.82 149.37 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -173.38 176.42 2.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 116' ' ' VAL . 45.7 m-85 -79.84 136.35 36.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -149.37 153.79 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 156.63 9.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.3 Cg_endo -69.68 111.07 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -61.79 122.29 70.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 73' ' ' GLU . . . 168.8 -47.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 44.2 mt -66.24 140.66 58.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 71' ' ' GLY . 14.9 mp0 -126.0 97.34 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 153.4 102.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.73 158.09 23.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -96.88 -62.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.647 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.87 147.2 43.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 52.1 m-85 -131.38 117.96 19.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -141.53 121.27 13.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -118.16 165.06 14.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.14 149.69 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.39 128.87 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.1 tptm -124.76 155.38 39.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.6 mm-40 -34.46 -52.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.65 17.44 3.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.35 149.37 49.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.3 m -138.56 134.41 33.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.538 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.5 t -144.02 139.73 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 90' ' ' PHE . 10.2 mt -110.83 153.37 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.56 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 25.6 m-85 -138.46 159.59 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.45 151.47 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 80.9 p -121.17 174.73 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.77 -23.81 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -151.98 162.87 40.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.58 -14.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -87.25 -49.16 7.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . 7.2 ptt180 -54.63 -25.84 29.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.46 -51.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.6 mt -53.79 -43.62 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.47 ' CE2' HD11 ' A' ' 14' ' ' LEU . 53.0 m95 -72.63 -36.35 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ARG . 45.6 t -68.99 -32.92 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -74.19 -40.27 62.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.32 -49.75 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.466 ' CB ' HG11 ' A' ' 63' ' ' VAL . 96.9 mtp -59.26 -29.69 67.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -62.98 -56.86 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -64.19 -35.55 81.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -51.69 -48.17 63.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.695 HG22 ' HB3' ' A' ' 58' ' ' LEU . 30.4 p -76.04 -47.34 25.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.55 33.61 8.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.462 ' CB ' HG23 ' A' ' 62' ' ' THR . 4.6 pt20 -60.58 166.23 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.344 . . . . 0.0 110.924 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.2 t -84.21 -41.44 16.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -91.39 112.87 24.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 20.1 ttmt -74.4 134.81 76.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 148.3 65.23 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 117' ' ' PRO . 87.9 t -134.01 138.7 31.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 111.174 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.76 129.67 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 168.83 20.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p 41.69 48.46 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -74.07 101.26 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.3 t -65.88 135.84 55.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.38 -71.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.94 24.88 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 t -48.61 100.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -67.57 -54.7 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -99.44 174.27 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -110.01 -48.62 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.08 -131.72 2.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -119.17 -54.23 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -103.71 134.08 47.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.29 -68.17 0.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.9 ttm -45.77 157.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -128.33 -50.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -141.16 160.19 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 p -156.23 141.89 17.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.13 152.76 6.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.67 132.45 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.789 HD11 ' CE2' ' A' ' 101' ' ' TRP . 41.9 mt -145.72 166.9 24.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -109.69 116.42 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -134.39 151.39 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.5 tt -145.52 119.03 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -160.88 12.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -100.59 -44.77 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.34 -26.47 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.3 m -127.26 162.46 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.605 ' HZ3' HD22 ' A' ' 56' ' ' LEU . 4.9 m-90 44.2 27.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -41.0 -27.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -101.75 135.53 43.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 70.0 t-105 -79.04 100.79 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 28.8 tttm -146.21 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 43.4 tttm -78.46 106.46 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -124.07 162.34 23.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 22.2 t80 -70.28 120.0 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 17.9 m-85 -114.93 132.79 56.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 88.9 t -140.03 123.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 tp -80.98 123.03 28.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 34' ' ' GLN . 57.5 t -118.18 155.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.568 ' HG3' ' CE1' ' A' ' 40' ' ' PHE . 60.1 tt0 -102.23 98.69 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 t -67.88 -64.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -118.49 170.04 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -42.68 -42.5 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -126.85 36.87 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.1 m -141.09 132.15 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 13.7 m-85 -132.72 161.92 32.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.843 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -147.67 149.64 32.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 11.2 mmm -93.13 101.15 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.8 m -91.19 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.2 p -110.92 103.33 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -94.45 115.82 28.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -87.63 -72.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.77 173.07 11.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -78.7 -26.93 44.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -133.03 88.26 2.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -165.56 175.97 8.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.29 146.58 32.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 105.83 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -73.22 -70.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' CD ' ' CD1' ' A' ' 22' ' ' TRP . 9.4 mt-10 -67.96 101.11 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 41' ' ' ALA . 3.7 tt -116.96 129.64 56.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.605 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 18.1 tp -120.41 110.98 17.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.48 115.53 20.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.712 ' HB3' HG22 ' A' ' 109' ' ' THR . 22.4 mt -82.73 37.48 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -49.27 -48.47 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.51 16.14 3.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.953 ' O ' HG21 ' A' ' 109' ' ' THR . 7.4 m-85 -71.21 104.64 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.979 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -78.34 95.75 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.745 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.5 p -85.07 134.52 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -165.06 164.68 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.442 ' CE2' HG11 ' A' ' 102' ' ' VAL . 16.1 m-85 -62.91 142.13 58.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.4 HG21 ' CG ' ' A' ' 80' ' ' ASN . 9.8 t -151.6 150.79 30.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.186 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.37 152.51 8.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.563 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.0 Cg_endo -69.73 103.02 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 89' ' ' ILE . 99.1 mm-40 -49.1 139.28 12.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.44 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 146.45 -59.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.511 HD22 ' CD2' ' A' ' 25' ' ' TRP . 34.6 mt -54.34 116.19 2.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -120.31 38.46 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . -122.43 74.91 0.37 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.82 166.28 12.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -96.35 -51.63 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.809 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -74.57 143.86 44.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 87.4 m-85 -130.99 116.6 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.583 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.7 p90 -136.82 122.88 20.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' CG ' HG21 ' A' ' 66' ' ' THR . 57.2 p30 -118.72 164.3 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -117.64 146.09 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.4 t -106.21 129.65 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 14.7 tptp -128.09 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 53.1 mm-40 -34.37 -53.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.63 19.23 2.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.96 148.46 50.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.4 m -138.74 128.9 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 90' ' ' PHE . 95.3 t -134.72 138.05 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 69' ' ' GLN . 16.7 mt -114.07 143.55 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 53.0 m-85 -129.16 164.29 23.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.52 162.13 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 2.0 m -136.75 165.89 24.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.28 -41.67 18.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.86 129.39 54.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -45.24 -42.05 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.54 65.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -52.47 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.809 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 18.1 ttp180 -41.51 -66.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ARG . 53.1 mt -37.46 -53.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.49 -41.92 63.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.789 ' CE2' HD11 ' A' ' 14' ' ' LEU . 83.2 m95 -70.14 -42.6 72.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 115' ' ' PRO . 58.8 t -64.88 -35.83 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -69.47 -43.13 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.41 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.745 ' CB ' HG11 ' A' ' 63' ' ' VAL . 93.2 mtp -48.98 -33.69 11.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.8 t80 -57.95 -48.5 79.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -70.56 -38.83 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.98 -40.28 69.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.953 HG21 ' O ' ' A' ' 61' ' ' TYR . 63.9 p -84.74 -45.68 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.08 10.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.59 178.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -100.12 -34.43 10.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -94.9 90.6 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 35.4 tttt -53.58 139.36 49.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.48 ' HB2' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.75 134.74 28.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.73 2.287 . . . . 0.0 112.346 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.33 125.22 28.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.74 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 130.03 18.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.45 2.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.388 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.9 p -115.1 37.76 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -115.38 128.73 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m -121.64 148.31 44.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -45.5 139.54 5.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.541 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 105.45 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.2 t -47.68 -53.57 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.3 m -132.91 172.3 12.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -116.46 -46.92 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -80.42 -59.62 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.8 -123.09 7.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -145.15 149.16 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -102.26 141.37 35.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.05 61.56 0.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 mtt -78.92 104.83 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HB2' HD23 ' A' ' 32' ' ' LEU . 10.6 mtmm -87.8 -42.23 12.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -145.78 150.12 35.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -148.6 168.36 23.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.54 159.26 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.48 137.71 56.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.931 0.396 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 101' ' ' TRP . 89.4 mt -147.07 163.71 35.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.528 ' CZ2' ' HD3' ' A' ' 27' ' ' LYS . 1.7 m95 -108.69 116.84 32.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -142.51 155.45 45.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.3 tt -151.08 132.37 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.28 -160.28 10.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' CE ' ' H ' ' A' ' 87' ' ' THR . 6.7 mtmp? -104.66 -33.57 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -97.83 -37.73 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.776 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.4 m -127.51 162.51 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.776 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.6 m-90 50.37 33.14 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -46.74 -28.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -95.48 134.0 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.523 ' CD2' HD22 ' A' ' 72' ' ' LEU . 66.6 t-105 -81.93 88.62 6.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -141.05 155.55 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HD3' ' CZ2' ' A' ' 15' ' ' TRP . 18.1 ttpp -75.06 122.82 24.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -134.75 156.63 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.54 109.52 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -104.53 142.85 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -143.21 123.27 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' A' ' 9' ' ' LYS . 26.0 tp -82.24 103.73 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 34' ' ' GLN . 95.9 t -97.07 156.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 58.7 tt0 -103.63 113.29 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.4 t -86.09 -62.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 m -117.7 175.96 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -44.88 -49.74 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -122.29 36.46 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 m -137.66 142.43 41.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 31.6 m-85 -141.61 173.84 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.553 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.78 146.81 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.634 ' HG2' HD11 ' A' ' 58' ' ' LEU . 20.3 mmm -93.28 101.11 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 29.0 m -92.13 120.46 32.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 p -93.52 58.33 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 86.7 m-85 -40.72 100.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -50.5 -21.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -168.46 167.13 11.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 pttm -60.54 -11.81 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -122.66 -52.09 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.56 130.08 27.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -64.7 144.4 98.8 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.645 0.736 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 96.62 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -59.73 -68.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -72.16 120.18 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD21 ' HB1' ' A' ' 41' ' ' ALA . 7.0 tt -133.61 129.58 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 18.5 tp -120.06 110.32 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.49 121.46 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD11 ' HG2' ' A' ' 42' ' ' MET . 8.4 mt -91.28 34.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -65.29 -22.72 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.94 -26.19 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 14.6 m-85 -48.16 147.27 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 110.939 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.843 HG23 ' CD ' ' A' ' 111' ' ' GLN . 90.7 m -124.07 100.0 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.479 HG11 ' HB2' ' A' ' 105' ' ' MET . 2.7 p -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.86 171.14 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -72.14 130.47 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.441 HG21 ' ND2' ' A' ' 80' ' ' ASN . 9.9 t -138.28 175.06 9.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.5 154.08 78.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.2 Cg_endo -69.7 107.77 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.487 ' HG3' HD13 ' A' ' 89' ' ' ILE . 60.5 mm-40 -56.34 137.19 75.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 99.21 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.68 -60.73 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 25' ' ' TRP . 25.5 mt -60.01 133.68 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 38.3 mt-10 -118.67 -64.32 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.59 101.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.4 131.4 4.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.489 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -80.02 -49.71 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.648 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.04 148.15 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 68.8 m-85 -128.18 116.29 19.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 4.3 p90 -143.91 128.45 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' ND2' HG21 ' A' ' 66' ' ' THR . 29.3 p30 -126.13 163.13 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.9 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.8 t -107.29 123.4 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 18.1 tptt -120.2 154.33 35.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 83' ' ' LYS . 15.1 mt-10 -34.51 -53.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.97 16.51 3.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -125.84 150.6 47.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.42 ' H ' ' CE ' ' A' ' 19' ' ' LYS . 17.0 m -138.61 134.34 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 90' ' ' PHE . 25.4 t -141.68 128.42 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.487 HD13 ' HG3' ' A' ' 69' ' ' GLN . 46.9 mt -99.36 149.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 66.9 m-85 -138.46 156.49 47.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.21 165.61 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.55 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 97.5 p -137.57 164.08 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.12 -31.42 61.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -130.13 160.54 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -70.44 -46.82 63.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.99 -31.28 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.559 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -66.09 -47.48 74.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.648 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 46.3 ttp180 -49.65 -59.49 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.5 mt -48.17 -40.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 97' ' ' ASP . 11.9 mt -65.0 -44.49 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.628 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -68.82 -34.08 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.57 -35.05 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -74.6 -35.54 62.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.51 -52.28 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.479 ' HB2' HG11 ' A' ' 63' ' ' VAL . 88.2 mtp -58.95 -34.41 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.496 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 3.8 t80 -57.73 -55.81 30.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -61.64 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -67.36 -40.4 85.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 58' ' ' LEU . 8.0 p -84.13 -35.72 23.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.09 18.49 74.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.843 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.1 pt20 -48.07 165.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.0 t -83.43 -41.07 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -78.51 120.52 23.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.496 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 31.7 tttt -90.07 121.84 68.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.74 33.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 117' ' ' PRO . 4.6 p -126.0 138.78 32.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 116' ' ' VAL . 53.8 Cg_endo -69.77 110.35 2.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.7 Cg_endo -69.77 176.28 6.99 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 119' ' ' THR . 13.7 t -117.3 67.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -61.73 106.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 122' ' ' GLY . 2.8 m -103.55 96.66 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 121' ' ' SER . . . 33.96 -96.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' SER . 53.9 Cg_endo -69.7 146.16 59.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.7 t -113.98 109.81 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 t -63.47 144.25 57.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -159.05 132.87 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -87.31 -46.8 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.96 135.3 7.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.433 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -109.71 85.12 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -41.58 116.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.97 56.82 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.9 ttm -38.43 130.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.324 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.542 ' HB2' HD23 ' A' ' 32' ' ' LEU . 1.1 mmmp? -117.17 -53.03 2.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -132.32 153.4 50.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 p -150.46 165.7 32.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 167.25 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -80.68 137.01 36.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD11 ' CE2' ' A' ' 101' ' ' TRP . 87.2 mt -151.96 164.52 36.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.5 m95 -109.14 118.03 35.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -136.75 148.0 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.089 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tt -143.3 119.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -166.64 14.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -94.67 -47.61 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -89.92 -36.16 15.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.1 m -118.44 163.01 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.535 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.1 m0 45.2 38.64 3.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.97 -20.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.96 146.7 34.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.71 ' CZ3' HD13 ' A' ' 72' ' ' LEU . 69.8 t-105 -85.51 94.19 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -138.39 155.05 48.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HE3' ' CZ2' ' A' ' 15' ' ' TRP . 5.3 ttmt -90.6 118.62 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HD2' ' CD1' ' A' ' 22' ' ' TRP . 12.5 ptp180 -132.76 172.56 12.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -74.75 104.82 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 42.9 m-85 -98.5 130.09 45.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -129.67 128.9 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.542 HD23 ' HB2' ' A' ' 9' ' ' LYS . 18.4 tp -86.52 113.79 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.44 147.19 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 51.3 tt0 -103.18 106.27 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.73 -49.73 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.7 t -128.8 176.42 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 16.8 mt-30 -53.25 -35.87 60.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -130.24 30.32 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -133.77 134.47 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.545 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 16.6 m-85 -137.61 164.79 27.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -148.84 142.76 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.3 mmm -92.53 101.25 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 3.3 m -89.9 122.72 33.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.3 p -98.15 80.01 2.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 43' ' ' CYS . 91.7 m-85 -67.43 104.34 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -96.37 -64.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -51.74 156.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 49' ' ' LYS . 11.0 ptmt -66.48 -53.88 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' N ' ' CG ' ' A' ' 48' ' ' LYS . 11.8 mmtp -134.01 84.11 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -173.66 171.51 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -72.49 151.91 91.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.744 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.79 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.286 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -74.24 -50.36 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 145.91 29.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.784 HD21 ' HB1' ' A' ' 41' ' ' ALA . 6.4 tt -155.89 129.71 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 55' ' ' LEU . 16.2 tp -114.67 135.47 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -99.3 119.13 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.877 ' HB3' HG22 ' A' ' 109' ' ' THR . 36.3 mt -90.02 35.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -61.71 -28.57 69.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.1 -27.78 0.56 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 10.6 m-85 -38.24 142.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.602 HG23 ' OE1' ' A' ' 111' ' ' GLN . 91.2 m -121.13 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.1 p -83.12 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -174.0 150.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 19.1 m-85 -53.87 133.66 42.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -144.1 161.6 38.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.92 160.79 72.09 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 54.1 Cg_endo -69.67 126.71 13.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -82.86 140.85 43.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.671 2.248 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -53.0 0.81 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.71 HD13 ' CZ3' ' A' ' 25' ' ' TRP . 9.6 mt -74.4 128.75 36.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 74' ' ' GLY . 1.7 tm-20 -115.43 -60.55 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.46 114.04 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.544 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.62 143.18 14.29 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.67 -63.54 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 98' ' ' ARG . . . -58.22 148.2 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 36.5 m-85 -130.26 114.53 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 2.2 p90 -142.35 131.98 23.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.43 ' CB ' ' HA ' ' A' ' 89' ' ' ILE . 42.1 p30 -134.57 161.01 36.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 152.03 28.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.412 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 7.7 p -114.56 127.19 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 11.0 tptm -123.54 156.14 36.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 45.2 mm-40 -34.21 -56.77 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -134.04 14.06 4.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.77 144.13 50.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 53.1 m -138.01 132.29 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.443 HG12 ' CE1' ' A' ' 90' ' ' PHE . 92.5 t -138.88 139.79 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 90' ' ' PHE . 44.2 mt -108.6 157.02 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 91.6 m-85 -144.94 154.79 42.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.461 ' O ' HD22 ' A' ' 14' ' ' LEU . . . -148.16 154.01 39.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 1.2 t -123.4 178.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.6 -40.32 25.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -117.27 156.16 28.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -63.47 -55.26 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 4.5 tm0? -56.29 -31.61 63.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.45 -10.38 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.544 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 42.8 ttp180 -78.97 -43.46 24.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 99' ' ' ILE . 5.1 mp -57.17 -37.94 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -62.43 -49.08 76.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.649 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.7 m95 -70.18 -34.5 73.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.505 HG11 ' CE1' ' A' ' 65' ' ' TYR . 38.2 t -67.95 -44.25 85.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -62.2 -41.09 98.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.5 -54.5 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.631 ' CB ' HG11 ' A' ' 63' ' ' VAL . 40.9 mmm -54.4 -37.24 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.4 t80 -56.05 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -62.11 -33.09 73.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -56.49 -39.72 73.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.877 HG22 ' HB3' ' A' ' 58' ' ' LEU . 17.2 p -84.54 -45.06 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.21 17.42 46.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.602 ' OE1' HG23 ' A' ' 62' ' ' THR . 10.4 pt20 -47.14 172.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.8 p -97.53 -35.27 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -85.89 103.13 14.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 1.0 OUTLIER -70.4 121.43 83.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 153.95 68.44 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 117' ' ' PRO . 85.1 t -129.92 138.72 33.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.652 0.739 . . . . 0.0 111.076 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.1 Cg_endo -69.78 123.13 9.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -179.92 3.25 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.2 p -134.29 92.92 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -108.88 109.72 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.6 t -121.66 40.25 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.05 -162.33 24.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.98 6.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.3 t -134.55 125.48 27.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.4 t -66.41 -45.42 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 m -117.8 -25.16 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 68.5 m 37.23 51.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.34 119.78 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -53.74 159.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -113.4 128.14 56.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.37 55.95 0.27 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.0 ttp -46.23 156.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' HB2' HD23 ' A' ' 32' ' ' LEU . 17.0 mmmt -130.08 -62.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -128.42 156.35 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 p -147.43 153.44 39.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.29 149.43 5.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -60.99 140.23 57.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 101' ' ' TRP . 28.8 mt -153.15 155.76 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 25' ' ' TRP . 5.1 m95 -98.74 116.78 31.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -138.22 154.72 49.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.075 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.1 tt -153.82 121.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.78 -176.51 18.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -88.03 -34.38 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -99.53 -38.58 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.73 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.9 m -122.83 160.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.73 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.0 m-90 52.35 28.68 5.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -39.54 -30.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -94.14 159.02 15.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.87 ' CD2' HD22 ' A' ' 72' ' ' LEU . 70.2 t-105 -106.69 99.41 8.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -146.03 155.26 42.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 7.4 ttpm? -76.14 97.33 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -113.43 149.38 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.68 119.68 9.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 13.0 m-85 -115.35 138.64 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.79 123.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD23 ' HB2' ' A' ' 9' ' ' LYS . 51.8 tp -80.39 119.7 23.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.99 150.39 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.503 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.6 tt0 -103.66 111.91 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.0 t -85.11 -52.46 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -128.23 173.56 10.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.564 ' OE1' ' CE1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -49.13 -39.35 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.564 ' CE1' ' OE1' ' A' ' 37' ' ' GLN . 2.9 m-85 -126.42 30.8 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.1 m -133.76 142.04 47.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 21.8 m-85 -146.29 162.1 38.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -144.15 146.82 32.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.418 ' HG2' HD11 ' A' ' 58' ' ' LEU . 7.5 mmm -92.61 101.81 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.3 m -103.58 121.96 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -102.52 127.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -116.08 91.22 3.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -61.6 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.32 167.65 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -60.82 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -145.8 105.29 3.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.77 179.65 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.2 145.96 73.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.97 22.35 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -67.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.06 143.87 31.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.651 HD21 ' HB1' ' A' ' 41' ' ' ALA . 5.4 tt -141.42 119.91 12.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.3 tp -114.87 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -86.22 122.23 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.53 ' HB3' HG22 ' A' ' 109' ' ' THR . 6.8 mt -93.37 37.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -70.76 -21.31 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.03 1.87 3.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 83' ' ' LYS . 12.3 m-85 -75.68 148.04 38.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.91 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.6 m -124.2 97.96 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG11 ' CB ' ' A' ' 105' ' ' MET . 2.6 p -83.06 143.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.82 143.38 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 102' ' ' VAL . 26.3 m-85 -47.89 134.52 13.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -145.33 156.94 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 5.0 p-10 -56.37 156.46 11.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.447 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.6 Cg_endo -69.72 102.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.544 ' HG2' HD13 ' A' ' 89' ' ' ILE . 13.9 mp0 -40.03 136.71 1.27 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.641 2.228 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.18 -58.15 0.63 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.87 HD22 ' CD2' ' A' ' 25' ' ' TRP . 72.4 mt -51.25 101.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.36 46.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -99.53 -58.23 0.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.06 -170.7 14.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.584 ' O ' ' CE2' ' A' ' 78' ' ' PHE . 7.8 mmm180 -93.52 -71.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.699 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -64.19 141.45 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 76' ' ' ARG . 97.2 m-85 -131.41 116.3 17.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.9 OUTLIER -127.65 122.66 33.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -115.06 153.26 31.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.44 152.4 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.0 123.76 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 16.7 tptm -115.8 156.37 26.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' LYS . 6.0 mm-40 -34.3 -45.65 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.29 13.44 1.42 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 153.33 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 m -136.69 136.69 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.2 t -142.0 140.64 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' A' ' 69' ' ' GLN . 10.2 mt -112.6 150.15 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CE1' HG12 ' A' ' 88' ' ' VAL . 66.9 m-85 -139.67 162.76 34.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.83 174.86 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.079 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.523 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 2.8 p -147.7 170.24 17.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -29.81 53.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 94' ' ' ASP . 1.2 p-10 -142.05 142.82 32.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 18.0 tt0 -47.56 -42.09 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' HA ' HD12 ' A' ' 99' ' ' ILE . 15.5 tt0 -50.22 -49.15 53.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -51.84 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.699 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 12.2 ttp180 -40.89 -42.88 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 96' ' ' GLN . 76.8 mt -57.93 -44.37 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.1 mt -66.05 -34.67 78.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.699 ' CE2' HD11 ' A' ' 14' ' ' LEU . 87.9 m95 -75.14 -37.42 61.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 98' ' ' ARG . 85.6 t -70.08 -39.25 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.48 -41.19 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.64 -55.8 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.485 ' CB ' HG11 ' A' ' 63' ' ' VAL . 94.7 mtp -54.79 -28.16 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -63.84 -58.87 5.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -59.8 -34.37 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.598 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -56.45 -45.98 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 58' ' ' LEU . 18.1 p -79.65 -43.8 22.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.16 25.97 35.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -48.28 172.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -93.04 -40.79 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -91.97 99.91 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 64.2 tttt -61.44 137.23 94.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 155.84 64.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.27 . . . . 0.0 112.374 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.471 HG13 ' HD2' ' A' ' 117' ' ' PRO . 91.2 t -139.53 133.64 15.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.669 0.747 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 116' ' ' VAL . 54.2 Cg_endo -69.74 110.33 2.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.1 Cg_endo -69.75 164.94 32.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.9 p -142.45 122.87 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.86 122.74 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -170.5 141.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -155.14 -179.98 30.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 85.87 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.3 m -82.01 158.35 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.7 t -67.56 134.35 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -149.91 166.6 29.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -130.54 140.23 50.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.23 166.18 24.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -126.49 44.33 2.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.2 m -99.22 132.69 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 80.95 1.52 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.2 mtp -118.12 105.75 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HB2' HD23 ' A' ' 32' ' ' LEU . 2.8 mptt -87.44 -49.67 7.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -137.2 162.81 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' HG22 ' A' ' 31' ' ' VAL . 60.0 p -162.8 169.11 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.97 149.76 5.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -60.51 123.95 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 110.945 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 101' ' ' TRP . 36.2 mt -138.85 153.51 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' CH2' ' HB2' ' A' ' 27' ' ' LYS . 3.2 m95 -99.0 117.6 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -137.14 151.98 49.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.9 tt -151.35 123.52 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.02 -168.96 13.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -92.43 -35.37 13.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -100.3 -38.59 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.609 HG23 ' CE3' ' A' ' 22' ' ' TRP . 23.9 m -118.8 162.99 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.609 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 46.83 30.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -39.57 -27.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' TRP . 6.0 tpm_? -101.05 151.68 21.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 73.9 t-105 -94.66 89.94 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 5.5 tppt? -134.09 155.07 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . 19.4 tttt -81.86 103.18 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.9 mtm-85 -113.67 164.5 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -80.05 97.94 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 26.2 m-85 -91.69 135.59 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' ' 11' ' ' SER . 96.9 t -134.04 130.37 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 9' ' ' LYS . 42.8 tp -79.42 120.06 23.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.0 t -116.22 146.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 48.7 tt0 -98.91 102.29 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 t -70.58 -58.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 -175.77 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -55.74 -38.07 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.71 35.36 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 7.5 m -139.28 142.64 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 34' ' ' GLN . 28.0 m-85 -142.94 165.64 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -151.86 144.98 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 75.1 mmm -92.64 101.12 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.3 m -92.88 130.45 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.7 p -111.23 111.98 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -103.06 140.75 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -117.77 -63.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.33 147.07 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -47.89 -38.06 15.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 10.9 mmmt -151.22 107.7 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -171.35 -178.14 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.88 143.82 35.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.686 0.755 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 122.51 9.18 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -74.95 -75.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -76.5 128.52 34.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.751 HD21 ' HB1' ' A' ' 41' ' ' ALA . 4.7 tt -140.5 115.43 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 13.3 tp -107.71 120.8 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -87.91 121.61 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.854 ' HB3' HG22 ' A' ' 109' ' ' THR . 18.3 mt -86.54 34.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.57 -58.53 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -115.85 -22.26 4.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 28.0 m-85 -34.97 143.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.63 HG23 ' OE1' ' A' ' 111' ' ' GLN . 13.1 m -124.75 100.03 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 105' ' ' MET . 5.6 p -82.91 137.98 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -164.96 151.84 10.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -53.86 135.8 41.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.5 t -145.04 171.2 14.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.46 159.32 77.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.74 121.23 7.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -66.62 142.16 97.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.95 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.368 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.92 -58.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.69 118.71 4.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.303 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -119.53 40.38 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -127.06 100.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.5 163.76 24.42 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 17.3 ptm180 -96.71 -49.64 5.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -78.11 143.06 37.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 47.4 m-85 -127.15 109.87 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -130.57 122.36 27.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -123.55 157.3 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.14 152.06 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 62' ' ' THR . 6.0 p -114.77 127.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 16.3 tptm -117.99 157.01 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' LYS . 63.5 mm-40 -33.43 -52.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.05 15.6 3.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.78 150.32 49.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.2 m -138.69 128.7 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.424 HG12 ' CE1' ' A' ' 90' ' ' PHE . 38.3 t -134.14 139.31 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.03 150.39 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.424 ' CE1' HG12 ' A' ' 88' ' ' VAL . 53.9 m-85 -139.78 157.27 46.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -147.19 160.18 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.7 p -133.37 161.09 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -77.43 -34.21 54.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -117.92 147.87 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -60.92 -52.7 63.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -47.33 -45.81 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -48.42 -54.45 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.727 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 41.3 ttp180 -42.04 -58.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.3 mt -49.5 -52.64 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 97' ' ' ASP . 38.5 mt -51.52 -49.69 61.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.674 ' CE2' HD11 ' A' ' 14' ' ' LEU . 77.6 m95 -65.26 -36.51 84.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 98' ' ' ARG . 55.8 t -68.76 -34.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -72.2 -40.76 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.11 -53.76 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.656 ' HB2' HG11 ' A' ' 63' ' ' VAL . 94.5 mtp -56.73 -32.82 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.6 t80 -59.54 -60.91 3.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -60.78 -32.8 72.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -57.26 -45.68 83.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.854 HG22 ' HB3' ' A' ' 58' ' ' LEU . 16.0 p -78.95 -43.56 24.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.09 31.68 22.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.63 ' OE1' HG23 ' A' ' 62' ' ' THR . 5.5 pt20 -54.77 -176.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 t -101.66 -38.0 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -92.78 109.38 20.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.8 tttt -70.35 131.52 88.39 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.05 46.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.388 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 117' ' ' PRO . 58.3 t -129.45 133.41 25.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.649 0.738 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 116' ' ' VAL . 54.2 Cg_endo -69.72 121.0 7.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -179.66 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.3 p -95.96 88.36 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -92.39 80.94 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 m -105.98 122.52 46.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -58.39 179.12 1.34 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.95 15.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.3 p -125.97 -47.79 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.9 m -118.18 -48.73 2.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -134.82 163.01 30.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -113.32 -48.17 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.92 -76.01 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -113.57 143.76 44.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.795 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -109.63 -49.64 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.61 115.48 1.75 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtt -124.79 138.85 54.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.721 ' HB2' HD23 ' A' ' 32' ' ' LEU . 18.4 mmtm -123.2 -52.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 101' ' ' TRP . 23.7 m-70 -139.92 131.89 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -138.9 144.86 39.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.78 165.3 14.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HB3' ' CG ' ' A' ' 27' ' ' LYS . 96.4 m-85 -65.56 136.25 56.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 101' ' ' TRP . 67.5 mt -153.14 144.42 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 7.1 m95 -91.67 116.36 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.602 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.51 154.67 48.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 tt -150.14 129.73 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -124.53 -177.85 15.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -87.15 -44.09 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -94.28 -32.08 13.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.754 HG23 ' CE3' ' A' ' 22' ' ' TRP . 12.0 m -127.12 154.05 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.754 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 55.6 31.87 18.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -45.87 -27.22 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -98.49 142.59 29.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CD2' HD22 ' A' ' 72' ' ' LEU . 71.0 t-105 -88.74 95.41 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 27' ' ' LYS . 78.5 tttt -140.85 156.9 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 16.3 ttmt -83.86 117.13 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -134.92 157.2 47.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.67 120.26 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -113.09 138.92 49.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -133.61 133.53 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' HB2' ' A' ' 9' ' ' LYS . 41.6 tp -88.29 105.18 17.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.479 ' CG2' ' SG ' ' A' ' 43' ' ' CYS . 60.6 t -101.44 135.96 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.554 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 36.4 tt0 -91.68 95.43 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -65.06 -61.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -116.26 168.15 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -50.68 -29.23 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -133.21 25.71 4.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -137.42 132.37 33.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 34' ' ' GLN . 12.5 m-85 -129.97 169.1 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -150.79 145.35 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.514 ' HG2' HD11 ' A' ' 58' ' ' LEU . 33.1 mmm -92.04 103.27 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' SG ' ' CG2' ' A' ' 33' ' ' VAL . 1.9 m -95.54 117.26 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -98.46 129.88 45.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -117.01 120.24 37.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -90.46 -43.34 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -83.49 173.21 11.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -53.19 -49.88 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -161.67 105.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -163.88 160.48 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -47.68 142.99 6.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 136.57 33.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -92.09 -30.04 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -127.66 110.28 12.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD21 ' HB1' ' A' ' 41' ' ' ALA . 8.6 tt -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD22 ' HZ3' ' A' ' 22' ' ' TRP . 25.4 tp -119.77 110.73 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.36 122.63 24.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 109' ' ' THR . 13.8 mt -91.48 37.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.66 -32.2 69.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' C ' ' HD2' ' A' ' 83' ' ' LYS . . . -128.42 14.54 6.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -89.86 144.06 26.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 110.888 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.823 HG23 ' CD ' ' A' ' 111' ' ' GLN . 97.5 m -121.28 96.34 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.669 HG11 ' CB ' ' A' ' 105' ' ' MET . 4.3 p -82.82 143.96 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -168.47 169.92 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' ' C ' ' A' ' 116' ' ' VAL . 10.1 m-85 -73.62 134.76 43.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -147.19 154.54 41.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -59.9 159.54 19.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.537 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.8 Cg_endo -69.78 115.24 4.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -63.13 142.76 97.73 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.76 2.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -65.75 0.59 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 25' ' ' TRP . 61.8 mt -51.18 111.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.729 0.299 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 2.8 pm0 -109.24 37.68 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.66 125.27 5.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.34 160.09 18.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -93.7 -49.65 5.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.927 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -74.21 148.77 41.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 38.5 m-85 -131.45 111.48 11.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -135.6 119.96 17.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -117.94 159.7 22.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.75 144.83 43.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.1 t -105.95 134.09 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 18.8 tptm -126.18 153.83 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 83' ' ' LYS . 23.7 mt-10 -34.0 -49.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.25 16.77 2.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.07 152.36 47.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.5 m -138.69 132.02 30.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.173 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.9 t -139.53 139.03 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.4 mt -111.39 152.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.602 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 88.0 m-85 -140.84 159.32 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . . . -147.61 159.41 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -130.67 174.88 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -31.0 56.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -145.98 154.09 41.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.16 -51.28 67.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -46.38 -23.59 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.59 -39.3 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.927 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 31.1 ttp180 -53.23 -43.55 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mt -53.65 -55.43 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.0 mt -49.04 -38.95 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 10' ' ' HIS . 55.4 m95 -72.52 -47.74 46.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.41 HG11 ' CZ ' ' A' ' 65' ' ' TYR . 49.7 t -55.07 -50.6 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -53.05 -49.08 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.46 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.669 ' CB ' HG11 ' A' ' 63' ' ' VAL . 88.2 mtp -46.2 -27.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 1.1 t80 -67.79 -60.72 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -59.56 -38.55 81.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.99 -51.89 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 58' ' ' LEU . 6.8 p -75.1 -46.32 35.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.53 26.08 21.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.823 ' CD ' HG23 ' A' ' 62' ' ' THR . 3.4 pt20 -52.71 176.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.9 m -101.47 -38.27 8.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -81.18 89.86 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 7.0 ttpt -56.86 126.89 73.59 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 136.05 31.94 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.742 2.294 . . . . 0.0 112.296 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.489 ' C ' ' CE2' ' A' ' 65' ' ' TYR . 93.2 t -121.62 123.62 27.45 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 126.39 13.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.96 40.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.1 p 45.02 45.87 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -44.73 141.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 t -49.3 -61.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -147.22 152.27 24.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.2 p 54.54 25.76 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 t -43.97 -35.38 2.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -95.02 134.45 37.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -59.39 142.63 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.64 48.26 0.92 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -119.72 127.37 52.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -46.4 123.38 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.57 -62.51 2.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.5 mtp -69.73 134.99 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.744 ' HB2' HD23 ' A' ' 32' ' ' LEU . 43.7 mmtt -105.0 -48.33 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -159.7 131.37 6.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' HB2' HG22 ' A' ' 31' ' ' VAL . 87.6 p -126.79 151.79 47.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.8 152.36 6.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -62.52 122.39 15.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.918 0.389 . . . . 0.0 110.952 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 101' ' ' TRP . 80.1 mt -139.22 159.43 42.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.512 ' CD2' ' HB2' ' A' ' 27' ' ' LYS . 3.0 m95 -104.27 122.14 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -141.45 148.56 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.5 tt -148.63 123.39 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.16 -161.24 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -99.52 -44.48 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.56 -40.88 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.68 HG23 ' CE3' ' A' ' 22' ' ' TRP . 17.5 m -120.92 160.88 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CE3' HG23 ' A' ' 21' ' ' VAL . 4.8 m-90 50.19 31.37 5.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.54 -27.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mtp85 -100.83 150.44 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.631 ' CE3' HD22 ' A' ' 72' ' ' LEU . 74.9 t-105 -88.57 86.4 7.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -126.83 156.51 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 15' ' ' TRP . 30.7 ttpt -99.16 115.12 28.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.577 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 18.2 ptp180 -133.26 168.82 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.51 115.84 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 28' ' ' ARG . 42.9 m-85 -111.46 125.4 53.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 11' ' ' SER . 93.4 t -119.62 133.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.744 HD23 ' HB2' ' A' ' 9' ' ' LYS . 41.8 tp -83.92 114.73 21.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' SG ' ' A' ' 43' ' ' CYS . 15.6 t -106.51 145.44 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 61.3 tt0 -102.15 88.16 3.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -53.06 -54.46 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.4 m -142.47 -175.24 4.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 7.1 tp-100 -43.76 -62.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 1.7 m-85 -111.65 41.72 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 m -142.16 135.27 28.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.759 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 22.2 m-85 -140.55 165.03 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.614 ' HB1' HD21 ' A' ' 55' ' ' LEU . . . -148.82 144.68 27.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.411 ' HG2' HD11 ' A' ' 58' ' ' LEU . 9.8 mmm -92.32 112.04 23.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.696 ' SG ' HG23 ' A' ' 33' ' ' VAL . 1.3 p -100.94 119.53 38.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 28' ' ' ARG . 91.4 p -103.28 109.44 21.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CE2' ' HD3' ' A' ' 52' ' ' PRO . 9.0 m-85 -87.28 109.96 19.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.21 -22.99 65.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . 5.8 tp10 -140.13 172.45 12.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -58.01 -44.56 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' ALA . 8.2 ptmm? -105.64 -39.09 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . . . -34.5 130.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.64 149.17 97.64 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.543 ' HD3' ' CE2' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -77.09 -66.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.87 111.46 12.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 41' ' ' ALA . 9.7 tt -125.14 129.29 49.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 15.0 tp -110.15 134.71 51.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -97.02 118.3 33.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.689 ' HB3' HG22 ' A' ' 109' ' ' THR . 8.0 mt -90.36 35.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -37.35 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' TYR . . . -123.31 -30.41 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.626 ' O ' HG21 ' A' ' 109' ' ' THR . 10.4 m-85 -34.61 142.51 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.714 HG23 ' CD ' ' A' ' 111' ' ' GLN . 51.5 m -124.17 95.71 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.182 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG11 ' CB ' ' A' ' 105' ' ' MET . 2.6 p -83.46 142.77 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -167.49 167.56 13.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 25.8 m-85 -66.32 124.2 22.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.6 t -133.81 169.16 17.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.88 159.35 81.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.4 Cg_endo -69.74 117.19 4.93 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.26 137.56 81.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 142.39 -60.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.631 HD22 ' CE3' ' A' ' 25' ' ' TRP . 17.7 mt -64.78 119.05 9.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.4 mt-10 -103.62 -59.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.416 ' HA3' ' CE3' ' A' ' 15' ' ' TRP . . . -35.6 101.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.12 151.9 10.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -96.52 -52.38 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' A' ' 98' ' ' ARG . . . -80.49 155.48 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 86.8 m-85 -130.6 132.6 45.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -151.53 119.2 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -118.23 160.89 20.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -114.05 148.76 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.9 t -107.37 123.07 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.552 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 13.1 tptm -121.16 155.14 35.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' LYS . 39.3 mm-40 -34.38 -55.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.22 18.71 3.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.06 147.0 50.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.921 0.391 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 m -137.86 122.5 18.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.5 HG12 ' CE1' ' A' ' 90' ' ' PHE . 48.4 t -130.09 132.33 65.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.2 mt -105.25 141.9 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 79' ' ' PHE . 50.2 m-85 -128.91 156.19 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -142.65 153.76 43.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.9 p -122.69 173.73 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -92.23 -37.19 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 168.57 9.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.69 -31.79 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -59.57 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -45.45 -36.77 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.668 ' HD2' ' HB1' ' A' ' 77' ' ' ALA . 19.1 ttt180 -49.74 -69.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.464 ' N ' ' HG2' ' A' ' 98' ' ' ARG . 12.4 mt -43.7 -46.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.7 -45.56 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.531 ' CE2' HD11 ' A' ' 14' ' ' LEU . 61.8 m95 -66.23 -44.35 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.29 -43.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.55 -60.9 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.632 ' CB ' HG11 ' A' ' 63' ' ' VAL . 90.8 mtp -47.78 -32.42 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.484 ' CE2' ' HG3' ' A' ' 114' ' ' LYS . 2.3 t80 -61.84 -53.89 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -64.25 -33.66 76.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.759 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -53.44 -56.59 15.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.689 HG22 ' HB3' ' A' ' 58' ' ' LEU . 19.5 p -71.72 -41.39 68.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 83.12 30.7 30.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.714 ' CD ' HG23 ' A' ' 62' ' ' THR . 4.3 pt20 -54.28 174.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.2 p -91.94 -41.67 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -88.59 104.93 17.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HG3' ' CE2' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -70.29 135.23 86.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 53.4 Cg_endo -69.81 144.56 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.591 HG13 ' HD2' ' A' ' 117' ' ' PRO . 59.9 t -130.83 137.45 30.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.677 0.751 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.591 ' HD2' HG13 ' A' ' 116' ' ' VAL . 53.7 Cg_endo -69.75 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.484 ' HG2' ' NE2' ' A' ' 120' ' ' GLN . 53.9 Cg_endo -69.75 173.74 10.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.5 t -105.13 40.33 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.484 ' NE2' ' HG2' ' A' ' 118' ' ' PRO . 10.6 mt-30 -44.02 150.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.8 t -103.45 108.32 19.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.72 -174.96 30.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -6.65 19.1 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.6 t -41.01 126.08 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 p -116.4 -175.75 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -96.45 173.78 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 t -39.71 145.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.804 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.92 -102.87 0.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -134.75 120.88 19.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -74.84 -50.53 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.11 79.76 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.649 ' SD ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -109.06 105.35 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.716 ' HB2' HD23 ' A' ' 32' ' ' LEU . 15.5 mmtp -89.92 -35.13 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -172.04 131.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.6 p -121.45 155.43 34.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.8 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.76 151.38 5.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -66.8 140.29 57.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.886 0.374 . . . . 0.0 110.923 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.868 HD11 ' CE2' ' A' ' 101' ' ' TRP . 23.3 mt -149.98 160.13 43.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 1.8 m95 -103.93 116.84 33.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.691 ' HB2' ' CD2' ' A' ' 90' ' ' PHE . . . -138.92 152.96 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.7 tt -147.65 125.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.21 -177.17 15.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -91.18 -29.07 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -102.22 -33.28 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.786 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.2 m -133.12 153.49 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.786 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.8 m0 62.79 27.17 15.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' TRP . 22.1 mmmt -35.53 -39.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -92.66 141.15 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.89 ' CD2' HD22 ' A' ' 72' ' ' LEU . 61.1 t-105 -83.48 92.18 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -135.96 156.67 48.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HD3' ' CE2' ' A' ' 15' ' ' TRP . 24.3 ttpp -83.96 120.76 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -133.5 145.31 50.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -57.22 99.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 15.6 m-85 -91.26 135.6 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.649 HG13 ' SD ' ' A' ' 8' ' ' MET . 37.6 t -132.97 124.82 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 9' ' ' LYS . 28.1 tp -81.81 106.37 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -98.56 139.0 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -96.3 99.78 11.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 t -68.61 -53.31 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 m -132.08 -176.54 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.65 -44.76 73.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -122.03 33.72 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 6.6 m -137.62 138.89 39.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CG ' ' HB1' ' A' ' 108' ' ' ALA . 35.5 m-85 -143.73 166.16 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.909 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -149.29 146.07 27.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.471 ' CE ' ' CZ3' ' A' ' 101' ' ' TRP . 43.8 mmm -93.36 101.32 13.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 66.7 m -94.47 119.58 33.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.7 t -96.73 67.06 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -52.39 103.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -52.89 -36.02 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 14.5 tt0 -136.03 169.22 17.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -48.89 -46.53 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.1 mptp? -105.34 -44.39 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB3' ' CB ' ' A' ' 47' ' ' GLU . . . -35.71 123.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 154.13 5.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.659 0.743 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 100.07 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -49.28 -56.96 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -103.4 138.91 39.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.909 HD11 ' HB1' ' A' ' 41' ' ' ALA . 7.8 tp -140.35 128.92 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.615 ' N ' HD12 ' A' ' 55' ' ' LEU . 22.0 tp -124.3 106.82 10.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -70.55 137.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.671 ' HB3' HG22 ' A' ' 109' ' ' THR . 8.9 mt -101.72 35.96 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.64 43.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.63 -29.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 11.4 m-85 -49.87 134.89 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.941 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.483 HG23 ' CB ' ' A' ' 111' ' ' GLN . 31.6 m -111.29 99.8 8.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.79 HG11 ' HB2' ' A' ' 105' ' ' MET . 6.7 p -86.7 142.36 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.44 135.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.462 ' CE1' HG21 ' A' ' 102' ' ' VAL . 34.2 m-85 -42.07 120.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.596 HG21 ' ND2' ' A' ' 80' ' ' ASN . 7.0 t -127.03 166.32 17.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -60.2 155.89 42.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.9 Cg_endo -69.76 133.37 25.39 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.819 ' HG2' HD13 ' A' ' 89' ' ' ILE . 5.3 mp0 -79.48 135.97 56.52 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 84.51 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 153.32 -50.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.89 HD22 ' CD2' ' A' ' 25' ' ' TRP . 23.8 mt -65.01 119.64 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' GLY . 49.4 mt-10 -127.21 -29.29 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.98 -45.11 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -112.54 162.36 12.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -85.97 -69.61 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.892 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -60.01 154.67 18.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 57.5 m-85 -131.45 113.17 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.52 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.2 p90 -138.43 120.72 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.596 ' ND2' HG21 ' A' ' 66' ' ' THR . 39.9 p30 -120.29 161.66 20.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.16 141.64 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.76 128.29 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.569 ' HD3' ' CD2' ' A' ' 61' ' ' TYR . 14.3 tptp -121.99 155.55 35.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 83' ' ' LYS . 32.4 mm-40 -34.44 -53.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.66 15.73 3.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -126.26 149.09 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 m -138.34 133.84 33.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.763 HG12 ' CE1' ' A' ' 90' ' ' PHE . 92.1 t -142.98 130.83 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.819 HD13 ' HG2' ' A' ' 69' ' ' GLN . 15.3 mt -103.99 144.3 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.763 ' CE1' HG12 ' A' ' 88' ' ' VAL . 45.5 m-85 -132.69 161.18 34.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.13 163.7 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -135.51 159.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.85 -49.54 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -130.16 152.36 49.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 22.5 tt0 -53.73 -56.59 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -46.09 -21.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -80.58 -57.39 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.892 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 7.2 ptt180 -48.3 -25.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.4 mt -60.33 -61.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.657 ' H ' HD12 ' A' ' 100' ' ' LEU . 5.9 mp -52.41 -38.35 58.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.868 ' CE2' HD11 ' A' ' 14' ' ' LEU . 40.9 m95 -68.71 -46.77 68.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 98' ' ' ARG . 88.0 t -60.49 -43.12 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -61.11 -42.95 99.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.98 -54.67 12.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.79 ' HB2' HG11 ' A' ' 63' ' ' VAL . 33.1 mmm -53.86 -36.53 62.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 2.0 t80 -59.13 -57.45 12.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -64.29 -39.93 94.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 40' ' ' PHE . . . -55.04 -43.68 74.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.671 HG22 ' HB3' ' A' ' 58' ' ' LEU . 28.9 p -80.72 -45.1 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.64 35.44 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.483 ' CB ' HG23 ' A' ' 62' ' ' THR . 4.0 pt20 -59.65 177.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.774 0.321 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.8 p -91.13 -42.77 10.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -89.87 110.91 21.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 106' ' ' TYR . 35.6 tttm -74.27 138.23 75.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 114' ' ' LYS . 54.0 Cg_endo -69.76 149.55 67.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.9 126.55 21.79 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' HA ' ' HD2' ' A' ' 118' ' ' PRO . 54.0 Cg_endo -69.73 110.53 2.57 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 117' ' ' PRO . 53.4 Cg_endo -69.73 160.84 48.23 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -164.61 133.17 3.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -116.68 100.84 8.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.4 m 44.7 39.88 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 79.51 136.32 1.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 124' ' ' SER . 54.2 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' PRO . 13.0 p -34.52 137.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.3 t -137.38 140.18 41.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 p -125.99 31.7 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -126.12 151.12 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.17 158.01 26.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -85.8 86.71 7.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -164.73 155.6 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.51 -36.31 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ttm -47.78 119.55 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.78 ' HB2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -93.96 -54.86 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -142.94 154.84 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.61 ' HB2' HG22 ' A' ' 31' ' ' VAL . 56.9 p -148.57 165.7 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.13 162.96 9.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -67.38 137.85 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.915 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.636 HD11 ' CE2' ' A' ' 101' ' ' TRP . 83.2 mt -153.22 160.25 42.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.522 ' HB2' ' CZ2' ' A' ' 25' ' ' TRP . 2.0 m95 -108.43 121.76 45.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.713 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -144.6 158.65 43.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.7 tt -153.4 124.93 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.74 -161.41 11.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -102.53 -35.26 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.02 -34.43 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.762 HG23 ' CE3' ' A' ' 22' ' ' TRP . 18.9 m -131.23 153.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.762 ' CE3' HG23 ' A' ' 21' ' ' VAL . 5.5 m-90 59.49 35.37 22.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -33.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -99.65 157.04 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CZ2' ' HB2' ' A' ' 15' ' ' TRP . 65.9 t-105 -95.03 86.81 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 157.3 42.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.943 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 15' ' ' TRP . 25.2 ttpt -85.43 115.73 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -128.05 169.25 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -75.0 99.29 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.713 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 25.1 m-85 -92.56 118.61 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 11' ' ' SER . 89.8 t -123.53 123.58 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 9' ' ' LYS . 64.7 tp -79.3 103.56 9.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.72 147.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 60.4 tt0 -104.03 97.91 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 t -68.38 -52.27 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 p -133.86 -175.03 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -52.82 -61.74 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 37' ' ' GLN . 1.1 m-85 -108.71 38.64 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.6 m -142.74 133.56 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.166 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.716 ' HB2' ' HB1' ' A' ' 108' ' ' ALA . 19.0 m-85 -138.68 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 1.033 ' HB1' HD11 ' A' ' 55' ' ' LEU . . . -151.14 148.63 28.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.594 ' HG2' HD11 ' A' ' 58' ' ' LEU . 83.8 mmm -96.2 102.77 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.0 m -94.0 126.86 39.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -107.4 113.37 26.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -104.98 87.91 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 ttt-85 -46.83 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.68 ' CD ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -64.83 178.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -52.0 -69.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.29 106.96 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB3' ' CD ' ' A' ' 47' ' ' GLU . . . -165.93 162.49 18.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 9.3 tt0 -38.21 141.01 0.55 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.84 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 51' ' ' GLU . 53.7 Cg_endo -69.78 119.35 6.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -71.21 -41.31 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -122.57 135.33 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.033 HD11 ' HB1' ' A' ' 41' ' ' ALA . 20.4 tp -136.48 136.8 39.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.52 ' H ' HD12 ' A' ' 55' ' ' LEU . 17.7 tp -134.69 106.99 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.94 124.05 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.594 HD11 ' HG2' ' A' ' 42' ' ' MET . 2.1 mt -98.84 38.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -67.59 -33.9 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.18 -4.01 7.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 83' ' ' LYS . 38.7 m-85 -69.66 144.92 52.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.655 HG23 ' CD ' ' A' ' 111' ' ' GLN . 87.4 m -121.39 99.15 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.501 HG11 ' CB ' ' A' ' 105' ' ' MET . 3.9 p -83.31 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.4 p30 -159.16 167.81 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 116' ' ' VAL . 52.1 m-85 -69.74 127.49 33.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.545 HG21 ' ND2' ' A' ' 80' ' ' ASN . 14.3 t -137.09 155.51 49.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.15 159.85 19.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CD2' ' A' ' 78' ' ' PHE . 53.5 Cg_endo -69.76 123.72 10.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -72.12 137.74 81.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 93.14 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 147.92 -49.38 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 ' CD2' ' A' ' 25' ' ' TRP . 16.5 mt -71.6 115.96 11.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' GLY . 28.9 tt0 -101.95 -64.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.35 114.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.99 138.46 9.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.49 -64.19 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.87 ' HB1' ' HD3' ' A' ' 98' ' ' ARG . . . -65.01 139.41 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 68' ' ' PRO . 54.0 m-85 -120.05 111.22 17.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 90' ' ' PHE . 5.6 p90 -135.21 127.34 29.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.545 ' ND2' HG21 ' A' ' 66' ' ' THR . 45.2 p30 -127.99 161.86 28.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.06 153.25 34.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.504 HG12 ' HB ' ' A' ' 62' ' ' THR . 14.6 p -116.15 138.79 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 21.5 tptm -128.38 157.03 42.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 83' ' ' LYS . 5.4 mm-40 -33.0 -49.46 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -141.82 15.81 2.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 150.49 49.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.0 m -138.83 131.25 28.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.606 HG12 ' CE1' ' A' ' 90' ' ' PHE . 61.0 t -135.57 142.57 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 90' ' ' PHE . 32.6 mt -111.79 152.38 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.606 ' CE1' HG12 ' A' ' 88' ' ' VAL . 58.7 m-85 -142.77 158.4 43.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 79' ' ' PHE . . . -148.81 163.29 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' A' ' 77' ' ' ALA . 41.5 p -137.2 170.96 15.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.59 -47.2 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.01 155.98 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.58 -34.99 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -58.97 -37.93 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 100' ' ' LEU . 20.3 m-20 -60.53 -49.79 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.87 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 19.4 ttp180 -43.99 -45.16 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.6 mt -66.67 -40.33 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 97' ' ' ASP . 44.3 mt -64.71 -33.64 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.636 ' CE2' HD11 ' A' ' 14' ' ' LEU . 79.6 m95 -84.02 -38.12 21.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 98' ' ' ARG . 40.2 t -66.65 -40.85 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -67.67 -46.42 72.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.41 -52.0 31.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.501 ' CB ' HG11 ' A' ' 63' ' ' VAL . 94.4 mtp -58.11 -33.52 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -57.09 -59.02 5.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -57.53 -40.58 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -50.91 -50.68 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 58' ' ' LEU . 11.7 p -74.43 -41.27 61.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.07 29.68 45.28 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.655 ' CD ' HG23 ' A' ' 62' ' ' THR . 3.6 pt20 -54.12 168.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.5 m -80.5 -43.16 21.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -78.07 173.53 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -129.31 130.04 23.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.5 ' HB2' ' CG1' ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.8 129.65 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.705 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.628 HG23 ' HD2' ' A' ' 117' ' ' PRO . 7.6 p -118.52 138.01 25.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.628 ' HD2' HG23 ' A' ' 116' ' ' VAL . 54.1 Cg_endo -69.73 128.86 16.67 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -172.61 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.43 117.22 14.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -128.49 96.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.7 p -144.72 105.51 4.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 177.41 -149.09 9.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 124.91 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 125' ' ' SER . 71.7 m -136.22 154.73 50.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 124' ' ' SER . 53.6 p 35.06 41.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.948 . . . . . . . . 0 0 . 1 stop_ save_